2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-5-carboxamide

C16H13N3O2 — CID 110681421

IUPAC2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-5-carboxamide
SMILESO=C(NCc1cccnc1)c1cnc(-c2ccccc2)o1
InChIInChI=1S/C16H13N3O2/c20-15(18-10-12-5-4-8-17-9-12)14-11-19-16(21-14)13-6-2-1-3-7-13/h1-9,11H,10H2,(H,18,20)
InChIKeyICFRUOCSGJLPHR-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.67
Rot. Bonds4

About 2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-5-carboxamide

2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-5-carboxamide (PubChem CID 110681421) 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-5-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-5-carboxamide
PubChem CID110681421
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-5-carboxamide
SMILESO=C(NCc1cccnc1)c1cnc(-c2ccccc2)o1
InChIInChI=1S/C16H13N3O2/c20-15(18-10-12-5-4-8-17-9-12)14-11-19-16(21-14)13-6-2-1-3-7-13/h1-9,11H,10H2,(H,18,20)
InChIKeyICFRUOCSGJLPHR-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

5-phenyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431716
N-[(3-methylphenyl)methyl]-2-phenyl-1,3-oxazole-5-carboxamide
CID 110681408
2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 166211099
5-methyl-2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 17441319
5-bromo-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 750404
2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778
2-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 50848268
5-(naphthalen-1-yloxymethyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 2166258
2-(pyridin-3-ylmethylcarbamoyl)pyridine-3-carboxylic acid
CID 19154891
5-chloro-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 166322102
5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099829
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-5-carboxamide (CID 110681421) is 2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-5-carboxamide is O=C(NCc1cccnc1)c1cnc(-c2ccccc2)o1.
What is the InChIKey of 2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is ICFRUOCSGJLPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-15(18-10-12-5-4-8-17-9-12)14-11-19-16(21-14)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-5-carboxamide?
2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-5-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-5-carboxamide is sourced from PubChem (CID 110681421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).