N-[(S)-cyano-(2-fluorophenyl)methyl]-2-methyl-5-phenyl-1,3-oxazole-4-carboxamide

C19H14FN3O2 — CID 99854848

IUPACN-[(S)-cyano-(2-fluorophenyl)methyl]-2-methyl-5-phenyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)N[C@H](C#N)c2ccccc2F)c(-c2ccccc2)o1
InChIInChI=1S/C19H14FN3O2/c1-12-22-17(18(25-12)13-7-3-2-4-8-13)19(24)23-16(11-21)14-9-5-6-10-15(14)20/h2-10,16H,1H3,(H,23,24)/t16-/m1/s1
InChIKeyUHQYNVDJLOHXQO-MRXNPFEDSA-N
MW335.34 g/mol
LogP3.78
Rot. Bonds4

About N-[(S)-cyano-(2-fluorophenyl)methyl]-2-methyl-5-phenyl-1,3-oxazole-4-carboxamide

N-[(S)-cyano-(2-fluorophenyl)methyl]-2-methyl-5-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 99854848) has the molecular formula C19H14FN3O2 and a molecular weight of 335.34 g/mol. Its IUPAC name is N-[(S)-cyano-(2-fluorophenyl)methyl]-2-methyl-5-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(S)-cyano-(2-fluorophenyl)methyl]-2-methyl-5-phenyl-1,3-oxazole-4-carboxamide
PubChem CID99854848
Molecular FormulaC19H14FN3O2
Molecular Weight335.34 g/mol
Exact Mass335.11
IUPAC NameN-[(S)-cyano-(2-fluorophenyl)methyl]-2-methyl-5-phenyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)N[C@H](C#N)c2ccccc2F)c(-c2ccccc2)o1
InChIInChI=1S/C19H14FN3O2/c1-12-22-17(18(25-12)13-7-3-2-4-8-13)19(24)23-16(11-21)14-9-5-6-10-15(14)20/h2-10,16H,1H3,(H,23,24)/t16-/m1/s1
InChIKeyUHQYNVDJLOHXQO-MRXNPFEDSA-N
XLogP3.78
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(S)-cyano-(2-fluorophenyl)methyl]-2-methyl-5-phenyl-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyano-(2-fluorophenyl)methyl]-2-methyl-5-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(S)-cyano-(2-fluorophenyl)methyl]-2-methyl-5-phenyl-1,3-oxazole-4-carboxamide (CID 99854848) is N-[(S)-cyano-(2-fluorophenyl)methyl]-2-methyl-5-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(S)-cyano-(2-fluorophenyl)methyl]-2-methyl-5-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(S)-cyano-(2-fluorophenyl)methyl]-2-methyl-5-phenyl-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)N[C@H](C#N)c2ccccc2F)c(-c2ccccc2)o1.
What is the InChIKey of N-[(S)-cyano-(2-fluorophenyl)methyl]-2-methyl-5-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is UHQYNVDJLOHXQO-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H14FN3O2/c1-12-22-17(18(25-12)13-7-3-2-4-8-13)19(24)23-16(11-21)14-9-5-6-10-15(14)20/h2-10,16H,1H3,(H,23,24)/t16-/m1/s1.
What are the key properties of N-[(S)-cyano-(2-fluorophenyl)methyl]-2-methyl-5-phenyl-1,3-oxazole-4-carboxamide?
N-[(S)-cyano-(2-fluorophenyl)methyl]-2-methyl-5-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 335.34 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyano-(2-fluorophenyl)methyl]-2-methyl-5-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 99854848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).