3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(pyridin-2-ylmethyl)propanamide

C16H15N3O3 — CID 110390405

IUPAC3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(pyridin-2-ylmethyl)propanamide
SMILESO=C(CCc1ccc2oc(=O)[nH]c2c1)NCc1ccccn1
InChIInChI=1S/C16H15N3O3/c20-15(18-10-12-3-1-2-8-17-12)7-5-11-4-6-14-13(9-11)19-16(21)22-14/h1-4,6,8-9H,5,7,10H2,(H,18,20)(H,19,21)
InChIKeyXJWHNLOSNOBBFT-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.77
Rot. Bonds5

About 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(pyridin-2-ylmethyl)propanamide

3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 110390405) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(pyridin-2-ylmethyl)propanamide
PubChem CID110390405
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(pyridin-2-ylmethyl)propanamide
SMILESO=C(CCc1ccc2oc(=O)[nH]c2c1)NCc1ccccn1
InChIInChI=1S/C16H15N3O3/c20-15(18-10-12-3-1-2-8-17-12)7-5-11-4-6-14-13(9-11)19-16(21)22-14/h1-4,6,8-9H,5,7,10H2,(H,18,20)(H,19,21)
InChIKeyXJWHNLOSNOBBFT-UHFFFAOYSA-N
XLogP1.77
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-pyrimidin-2-ylpropanamide
CID 110678767
N-[(2-chlorophenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 110390399
N-[(3-methylphenyl)methyl]-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 110390393
3-(3-fluorophenyl)-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide
CID 110786774
3-(3-methyl-2-oxo-1H-quinolin-7-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 110389980
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propylpropanamide
CID 110390366
N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110773952
N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-2-phenylacetamide
CID 110786737
4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)methylamino]butanoic acid
CID 82501414
N-(2-methoxyphenyl)-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 110390488
3-chloro-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]propanamide
CID 115162652
7-N-benzyl-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 91580482

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(pyridin-2-ylmethyl)propanamide (CID 110390405) is 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(pyridin-2-ylmethyl)propanamide is O=C(CCc1ccc2oc(=O)[nH]c2c1)NCc1ccccn1.
What is the InChIKey of 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is XJWHNLOSNOBBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c20-15(18-10-12-3-1-2-8-17-12)7-5-11-4-6-14-13(9-11)19-16(21)22-14/h1-4,6,8-9H,5,7,10H2,(H,18,20)(H,19,21).
What are the key properties of 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(pyridin-2-ylmethyl)propanamide?
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 297.31 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 110390405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).