2-[5-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]-N-pyridin-2-ylacetamide

C15H13N3O4 — CID 82357308

IUPAC2-[5-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]-N-pyridin-2-ylacetamide
SMILESO=C(Cn1c(=O)oc2ccc(CO)cc21)Nc1ccccn1
InChIInChI=1S/C15H13N3O4/c19-9-10-4-5-12-11(7-10)18(15(21)22-12)8-14(20)17-13-3-1-2-6-16-13/h1-7,19H,8-9H2,(H,16,17,20)
InChIKeyAJESDUFOTHXXDE-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.12
Rot. Bonds4

About 2-[5-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]-N-pyridin-2-ylacetamide

2-[5-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]-N-pyridin-2-ylacetamide (PubChem CID 82357308) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is 2-[5-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[5-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]-N-pyridin-2-ylacetamide
PubChem CID82357308
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Name2-[5-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]-N-pyridin-2-ylacetamide
SMILESO=C(Cn1c(=O)oc2ccc(CO)cc21)Nc1ccccn1
InChIInChI=1S/C15H13N3O4/c19-9-10-4-5-12-11(7-10)18(15(21)22-12)8-14(20)17-13-3-1-2-6-16-13/h1-7,19H,8-9H2,(H,16,17,20)
InChIKeyAJESDUFOTHXXDE-UHFFFAOYSA-N
XLogP1.12
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-1H-pyrazol-3-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 60519288
3-ethyl-5-(hydroxymethyl)-1,3-benzoxazol-2-one
CID 82357274
N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 48507067
1-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-3-pyridin-2-ylurea
CID 51099669
3-[(pyridin-2-ylamino)methyl]-1,3-benzoxazol-2-one
CID 4093318
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyridin-2-ylacetamide
CID 18142520
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
formic acid;2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-pyridin-2-yl-1,2-oxazol-5-yl)acetamide
CID 163338003
3-methylbutyl 2-[5-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 82357232
N-(3-hydroxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 18886705
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 1096304
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylpyrimidin-5-yl)acetamide
CID 46528508

Frequently Asked Questions

What is the IUPAC name of 2-[5-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[5-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]-N-pyridin-2-ylacetamide (CID 82357308) is 2-[5-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[5-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[5-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]-N-pyridin-2-ylacetamide is O=C(Cn1c(=O)oc2ccc(CO)cc21)Nc1ccccn1.
What is the InChIKey of 2-[5-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]-N-pyridin-2-ylacetamide?
The InChIKey is AJESDUFOTHXXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c19-9-10-4-5-12-11(7-10)18(15(21)22-12)8-14(20)17-13-3-1-2-6-16-13/h1-7,19H,8-9H2,(H,16,17,20).
What are the key properties of 2-[5-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]-N-pyridin-2-ylacetamide?
2-[5-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]-N-pyridin-2-ylacetamide has a molecular weight of 299.29 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 82357308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).