1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[[4-(3-chlorophenyl)-2-(trifluoromethyl)-1,3-oxazol-5-yl]methyl]-2-[3-fluoro-4-(2-hydroxyethyl)phenyl]propanamide

2.1.2 InChI

InChI=1S/C22H19ClF4N2O3/c1-12(14-6-5-13(7-8-30)17(24)10-14)20(31)28-11-18-19(15-3-2-4-16(23)9-15)29-21(32-18)22(25,26)27/h2-6,9-10,12,30H,7-8,11H2,1H3,(H,28,31)

2.1.3 InChI Key

QDPXXMQWILREPB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C1=CC(=C(C=C1)CCO)F)C(=O)NCC2=C(N=C(O2)C(F)(F)F)C3=CC(=CC=C3)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Schembl17784970

2. Bdbm342116

3. Us9771359, Ex-02

2.3 Create Date

2016-08-06

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₁₉ClF₄N₂O₃
Molecular Weight	470.8 g/mol
XLogP3	4.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	75.4
Heavy Atom Count	32
Formal Charge	0
Complexity	627
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

N-((4-(3-chlorophenyl)-2-(trifluoromethyl)oxazol-5-yl)methyl)-2-(3-fluoro-4-(2-hydroxyethyl)-phenyl)propanamide

N-((4-(3-chlorophenyl)-2-(trifluoromethyl)oxazol-5-yl)methyl)-2-(3-fluoro-4-(2-hydroxyethyl)-phenyl)propanamide

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