1,3-benzoxazole-6-carboxamide

C8H6N2O2 — CID 22245908

IUPAC1,3-benzoxazole-6-carboxamide
SMILESNC(=O)c1ccc2ncoc2c1
InChIInChI=1S/C8H6N2O2/c9-8(11)5-1-2-6-7(3-5)12-4-10-6/h1-4H,(H2,9,11)
InChIKeyHTCGJNTZJOZMCS-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.93
Rot. Bonds1

About 1,3-benzoxazole-6-carboxamide

1,3-benzoxazole-6-carboxamide (PubChem CID 22245908) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name1,3-benzoxazole-6-carboxamide
PubChem CID22245908
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name1,3-benzoxazole-6-carboxamide
SMILESNC(=O)c1ccc2ncoc2c1
InChIInChI=1S/C8H6N2O2/c9-8(11)5-1-2-6-7(3-5)12-4-10-6/h1-4H,(H2,9,11)
InChIKeyHTCGJNTZJOZMCS-UHFFFAOYSA-N
XLogP0.93
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzoxazol-6-yl)-2,2,2-trifluoroethanone
CID 116836453
3-amino-1-(1,3-benzoxazol-6-yl)-3-methylbutan-1-one
CID 116915763
1,2,3-benzoxadiazole-6-carboxamide
CID 151372469
3-(1,3-benzoxazol-6-yl)oxetane-3-carboxamide
CID 116876205
2-methyl-1,3-benzoxazole-6-carboxamide
CID 82490560
methyl 1-(1,3-benzoxazole-6-carbonyl)cyclopropane-1-carboxylate
CID 116922168
N-(4-chlorophenyl)-1,3-benzoxazole-6-carboxamide
CID 110765115
4-(1,3-benzoxazol-6-yl)-2-methyl-4-oxobutanoic acid
CID 116918442
4-(1,3-benzoxazol-6-ylmethyl)benzoic acid
CID 116927202
1,3-benzoxazol-6-amine
CID 584120
6-hydroxy-1,3-benzoxazole-5-carboxamide
CID 174672800
1-amino-1-(1,3-benzoxazol-6-yl)propan-2-one
CID 116859715

Frequently Asked Questions

What is the IUPAC name of 1,3-benzoxazole-6-carboxamide?
The IUPAC name of 1,3-benzoxazole-6-carboxamide (CID 22245908) is 1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 1,3-benzoxazole-6-carboxamide is NC(=O)c1ccc2ncoc2c1.
What is the InChIKey of 1,3-benzoxazole-6-carboxamide?
The InChIKey is HTCGJNTZJOZMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c9-8(11)5-1-2-6-7(3-5)12-4-10-6/h1-4H,(H2,9,11).
What are the key properties of 1,3-benzoxazole-6-carboxamide?
1,3-benzoxazole-6-carboxamide has a molecular weight of 162.15 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 22245908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).