2-(1,3-benzoxazol-6-yl)-N-(pyridin-3-ylmethyl)acetamide

C15H13N3O2 — CID 110771768

IUPAC2-(1,3-benzoxazol-6-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(Cc1ccc2ncoc2c1)NCc1cccnc1
InChIInChI=1S/C15H13N3O2/c19-15(17-9-12-2-1-5-16-8-12)7-11-3-4-13-14(6-11)20-10-18-13/h1-6,8,10H,7,9H2,(H,17,19)
InChIKeyXYGVKEOZUCXXIV-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.08
Rot. Bonds4

About 2-(1,3-benzoxazol-6-yl)-N-(pyridin-3-ylmethyl)acetamide

2-(1,3-benzoxazol-6-yl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 110771768) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-6-yl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-6-yl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID110771768
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-(1,3-benzoxazol-6-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(Cc1ccc2ncoc2c1)NCc1cccnc1
InChIInChI=1S/C15H13N3O2/c19-15(17-9-12-2-1-5-16-8-12)7-11-3-4-13-14(6-11)20-10-18-13/h1-6,8,10H,7,9H2,(H,17,19)
InChIKeyXYGVKEOZUCXXIV-UHFFFAOYSA-N
XLogP2.08
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(pyridin-3-ylmethylamino)ethyl] 1,3-benzoxazole-6-carboxylate
CID 23831576
2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 47350006
N-(1,3-benzoxazol-6-ylmethyl)-4-hydroxybutanamide
CID 115163001
N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 34360937
2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778
5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099829
2-(5-bromo-3-pyridinyl)-N-(pyridin-3-ylmethyl)acetamide
CID 142612479
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 29291454
N-(pyridin-3-ylmethyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110496431
2-(1,2-benzoxazol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46612175
N-(1,3-benzoxazol-6-yl)pyridine-3-carboxamide;hydrochloride
CID 110778910
2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 110770413

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-6-yl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(1,3-benzoxazol-6-yl)-N-(pyridin-3-ylmethyl)acetamide (CID 110771768) is 2-(1,3-benzoxazol-6-yl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-6-yl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-6-yl)-N-(pyridin-3-ylmethyl)acetamide is O=C(Cc1ccc2ncoc2c1)NCc1cccnc1.
What is the InChIKey of 2-(1,3-benzoxazol-6-yl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is XYGVKEOZUCXXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-15(17-9-12-2-1-5-16-8-12)7-11-3-4-13-14(6-11)20-10-18-13/h1-6,8,10H,7,9H2,(H,17,19).
What are the key properties of 2-(1,3-benzoxazol-6-yl)-N-(pyridin-3-ylmethyl)acetamide?
2-(1,3-benzoxazol-6-yl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 267.29 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-6-yl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 110771768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).