5-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide

C17H14ClN3O2 — CID 16676074

IUPAC5-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
SMILESCC(NC(=O)c1ncoc1-c1ccccc1Cl)c1ccccn1
InChIInChI=1S/C17H14ClN3O2/c1-11(14-8-4-5-9-19-14)21-17(22)15-16(23-10-20-15)12-6-2-3-7-13(12)18/h2-11H,1H3,(H,21,22)
InChIKeyWNHYBAXVTJBGBU-UHFFFAOYSA-N
MW327.77 g/mol
LogP3.88
Rot. Bonds4

About 5-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide

5-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide (PubChem CID 16676074) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
PubChem CID16676074
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC Name5-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
SMILESCC(NC(=O)c1ncoc1-c1ccccc1Cl)c1ccccn1
InChIInChI=1S/C17H14ClN3O2/c1-11(14-8-4-5-9-19-14)21-17(22)15-16(23-10-20-15)12-6-2-3-7-13(12)18/h2-11H,1H3,(H,21,22)
InChIKeyWNHYBAXVTJBGBU-UHFFFAOYSA-N
XLogP3.88
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 36804802
5-(3-methoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]-1,3-oxazole-4-carboxamide
CID 51492690
2-(2-chlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 25337037
4-tert-butyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 35939821
4-amino-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 81407597
4-amino-3-chloro-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81407020
4-(methylamino)-N-(1-pyridin-2-ylethyl)benzamide
CID 62168146
2-chloro-N-(1-pyridin-2-ylethyl)propanamide
CID 43523379
4-(dimethylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 25337085
4-chloro-N-[1-oxo-1-(1-pyridin-2-ylethylamino)propan-2-yl]benzamide
CID 112758997
2-(methylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81406697
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide (CID 16676074) is 5-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide is CC(NC(=O)c1ncoc1-c1ccccc1Cl)c1ccccn1.
What is the InChIKey of 5-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is WNHYBAXVTJBGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c1-11(14-8-4-5-9-19-14)21-17(22)15-16(23-10-20-15)12-6-2-3-7-13(12)18/h2-11H,1H3,(H,21,22).
What are the key properties of 5-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide?
5-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 327.77 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-(1-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 16676074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).