6-hydroxy-1,3-benzoxazole-5-carboxamide

C8H6N2O3 — CID 174672800

IUPAC6-hydroxy-1,3-benzoxazole-5-carboxamide
SMILESNC(=O)c1cc2ncoc2cc1O
InChIInChI=1S/C8H6N2O3/c9-8(12)4-1-5-7(2-6(4)11)13-3-10-5/h1-3,11H,(H2,9,12)
InChIKeyOFHJUSPRIQNPKC-UHFFFAOYSA-N
MW178.15 g/mol
LogP0.63
Rot. Bonds1

About 6-hydroxy-1,3-benzoxazole-5-carboxamide

6-hydroxy-1,3-benzoxazole-5-carboxamide (PubChem CID 174672800) has the molecular formula C8H6N2O3 and a molecular weight of 178.15 g/mol. Its IUPAC name is 6-hydroxy-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name6-hydroxy-1,3-benzoxazole-5-carboxamide
PubChem CID174672800
Molecular FormulaC8H6N2O3
Molecular Weight178.15 g/mol
Exact Mass178.04
IUPAC Name6-hydroxy-1,3-benzoxazole-5-carboxamide
SMILESNC(=O)c1cc2ncoc2cc1O
InChIInChI=1S/C8H6N2O3/c9-8(12)4-1-5-7(2-6(4)11)13-3-10-5/h1-3,11H,(H2,9,12)
InChIKeyOFHJUSPRIQNPKC-UHFFFAOYSA-N
XLogP0.63
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-benzoxazole-6-carboxamide
CID 22245908
5-chloro-1,3-benzoxazole-6-carboxylic acid
CID 83880227
N-(2-carbamoylphenyl)-1,3-benzoxazole-6-carboxamide
CID 110765134
6-hydroxy-3H-benzimidazole-5-carboxamide
CID 130781668
3-(1,3-benzoxazol-6-yl)oxetane-3-carboxamide
CID 116876205
1-(5-bromo-1,3-benzoxazol-6-yl)propan-2-one
CID 83900778
1-amino-1-(1,3-benzoxazol-6-yl)propan-2-one
CID 116859715
1-(6-chloro-1,3-benzoxazol-5-yl)propan-2-one
CID 83884720
3-hydroxynaphthalene-2-carboxamide
CID 19317
1,3-benzoxazol-6-amine
CID 584120
1-(2-aminoethyl)-1-(1,3-benzoxazol-5-yl)urea
CID 82392763
N-(1,3-benzoxazol-6-yl)-5-chloro-2-hydroxybenzamide
CID 175430925

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 6-hydroxy-1,3-benzoxazole-5-carboxamide (CID 174672800) is 6-hydroxy-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 6-hydroxy-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 6-hydroxy-1,3-benzoxazole-5-carboxamide is NC(=O)c1cc2ncoc2cc1O.
What is the InChIKey of 6-hydroxy-1,3-benzoxazole-5-carboxamide?
The InChIKey is OFHJUSPRIQNPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3/c9-8(12)4-1-5-7(2-6(4)11)13-3-10-5/h1-3,11H,(H2,9,12).
What are the key properties of 6-hydroxy-1,3-benzoxazole-5-carboxamide?
6-hydroxy-1,3-benzoxazole-5-carboxamide has a molecular weight of 178.15 g/mol, XLogP of 0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 174672800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).