2-acetyl-1,3-benzoxazole-7-carboxamide

C10H8N2O3 — CID 119020331

IUPAC2-acetyl-1,3-benzoxazole-7-carboxamide
SMILESCC(=O)c1nc2cccc(C(N)=O)c2o1
InChIInChI=1S/C10H8N2O3/c1-5(13)10-12-7-4-2-3-6(9(11)14)8(7)15-10/h2-4H,1H3,(H2,11,14)
InChIKeyWHUIOTKRZNFGCW-UHFFFAOYSA-N
MW204.18 g/mol
LogP1.13
Rot. Bonds2

About 2-acetyl-1,3-benzoxazole-7-carboxamide

2-acetyl-1,3-benzoxazole-7-carboxamide (PubChem CID 119020331) has the molecular formula C10H8N2O3 and a molecular weight of 204.18 g/mol. Its IUPAC name is 2-acetyl-1,3-benzoxazole-7-carboxamide.

Molecular Properties

Compound Name2-acetyl-1,3-benzoxazole-7-carboxamide
PubChem CID119020331
Molecular FormulaC10H8N2O3
Molecular Weight204.18 g/mol
Exact Mass204.05
IUPAC Name2-acetyl-1,3-benzoxazole-7-carboxamide
SMILESCC(=O)c1nc2cccc(C(N)=O)c2o1
InChIInChI=1S/C10H8N2O3/c1-5(13)10-12-7-4-2-3-6(9(11)14)8(7)15-10/h2-4H,1H3,(H2,11,14)
InChIKeyWHUIOTKRZNFGCW-UHFFFAOYSA-N
XLogP1.13
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(7-hydroxy-1,3-benzoxazol-2-yl)ethanone
CID 119005497
2-(aminomethyl)-1,3-benzoxazole-7-carboxamide
CID 118853991
2-acetyl-1,3-benzoxazole-7-carbaldehyde
CID 130851785
1-[7-(difluoromethoxy)-1,3-benzoxazol-2-yl]ethanone
CID 118992474
2-(2-acetyl-1,3-benzoxazol-7-yl)acetonitrile
CID 119009609
2-oxo-1,4-benzoxazine-8-carboxamide
CID 140987274
2-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride
CID 140987273
1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanone
CID 82230213
2-methylsulfanyl-1,3-benzoxazole-7-carboxylic acid
CID 118809335
2-[4-(1H-pyrazol-5-yl)phenyl]-1,3-benzoxazole-7-carboxamide
CID 46847384
1-(2-cyclopentyl-1,3-benzoxazol-7-yl)ethanone
CID 82231282
2-[4-(1,3-benzodioxol-5-yl)phenyl]-1,3-benzoxazole-7-carboxamide
CID 46847383

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-1,3-benzoxazole-7-carboxamide?
The IUPAC name of 2-acetyl-1,3-benzoxazole-7-carboxamide (CID 119020331) is 2-acetyl-1,3-benzoxazole-7-carboxamide.
What is the SMILES notation for 2-acetyl-1,3-benzoxazole-7-carboxamide?
The canonical SMILES for 2-acetyl-1,3-benzoxazole-7-carboxamide is CC(=O)c1nc2cccc(C(N)=O)c2o1.
What is the InChIKey of 2-acetyl-1,3-benzoxazole-7-carboxamide?
The InChIKey is WHUIOTKRZNFGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-5(13)10-12-7-4-2-3-6(9(11)14)8(7)15-10/h2-4H,1H3,(H2,11,14).
What are the key properties of 2-acetyl-1,3-benzoxazole-7-carboxamide?
2-acetyl-1,3-benzoxazole-7-carboxamide has a molecular weight of 204.18 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-1,3-benzoxazole-7-carboxamide is sourced from PubChem (CID 119020331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).