2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide

C16H13N3O2 — CID 166211099

IUPAC2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1cccnc1)c1coc(-c2ccccc2)n1
InChIInChI=1S/C16H13N3O2/c20-15(18-10-12-5-4-8-17-9-12)14-11-21-16(19-14)13-6-2-1-3-7-13/h1-9,11H,10H2,(H,18,20)
InChIKeyAORYTABJHVRCBF-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.67
Rot. Bonds4

About 2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide

2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 166211099) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID166211099
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1cccnc1)c1coc(-c2ccccc2)n1
InChIInChI=1S/C16H13N3O2/c20-15(18-10-12-5-4-8-17-9-12)14-11-21-16(19-14)13-6-2-1-3-7-13/h1-9,11H,10H2,(H,18,20)
InChIKeyAORYTABJHVRCBF-UHFFFAOYSA-N
XLogP2.67
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-5-carboxamide
CID 110681421
5-methyl-2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 17441319
5-phenyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431716
1-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(pyridin-3-ylmethyl)urea
CID 60620242
3-(2-phenyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide
CID 97443263
2-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 50848268
6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558442
N-(pyridin-3-ylmethyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 52907968
2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 50755014
2-[[benzyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 46001286
N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109307168

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide (CID 166211099) is 2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide is O=C(NCc1cccnc1)c1coc(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is AORYTABJHVRCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-15(18-10-12-5-4-8-17-9-12)14-11-21-16(19-14)13-6-2-1-3-7-13/h1-9,11H,10H2,(H,18,20).
What are the key properties of 2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide?
2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 166211099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).