1,2-benzoxazepine-7-carboxamide

C10H8N2O2 — CID 140733006

IUPAC1,2-benzoxazepine-7-carboxamide
SMILESNC(=O)c1ccc2c(c1)C=CC=NO2
InChIInChI=1S/C10H8N2O2/c11-10(13)8-3-4-9-7(6-8)2-1-5-12-14-9/h1-6H,(H2,11,13)
InChIKeyOWZPXFISVMGIEO-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.18
Rot. Bonds1

About 1,2-benzoxazepine-7-carboxamide

1,2-benzoxazepine-7-carboxamide (PubChem CID 140733006) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 1,2-benzoxazepine-7-carboxamide.

Molecular Properties

Compound Name1,2-benzoxazepine-7-carboxamide
PubChem CID140733006
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name1,2-benzoxazepine-7-carboxamide
SMILESNC(=O)c1ccc2c(c1)C=CC=NO2
InChIInChI=1S/C10H8N2O2/c11-10(13)8-3-4-9-7(6-8)2-1-5-12-14-9/h1-6H,(H2,11,13)
InChIKeyOWZPXFISVMGIEO-UHFFFAOYSA-N
XLogP1.18
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,2-benzoxazepine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-benzodioxine-6-carboxamide
CID 87550689
2,3-dihydro-1-benzoxepine-7-carboxamide
CID 144848869
1H-1-benzazepine-7-carboxamide
CID 66874969
benzotrioxole-5-carboxamide
CID 141463009
2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 659279
8-carbamoylbenzo[c][1,2,5,6]benzotetraoxocine-2-carboxylic acid
CID 163538336
5-thia-4-azatricyclo[8.4.0.02,6]tetradeca-1(10),3,6,8,11,13-hexaene-12-carboxamide
CID 66869106
2,3,4,5-tetrahydro-1-benzoxepine-7-carboxamide
CID 118096760
1,3-benzoxazole-6-carboxamide
CID 22245908
2-oxo-1,3-benzodioxole-5-carboxamide
CID 21398782
2,1,3-benzoxadiazole-5-carboxamide
CID 22335030
2-ethyl-1,3-benzodioxole-5-carboxamide
CID 137423429

Frequently Asked Questions

What is the IUPAC name of 1,2-benzoxazepine-7-carboxamide?
The IUPAC name of 1,2-benzoxazepine-7-carboxamide (CID 140733006) is 1,2-benzoxazepine-7-carboxamide.
What is the SMILES notation for 1,2-benzoxazepine-7-carboxamide?
The canonical SMILES for 1,2-benzoxazepine-7-carboxamide is NC(=O)c1ccc2c(c1)C=CC=NO2.
What is the InChIKey of 1,2-benzoxazepine-7-carboxamide?
The InChIKey is OWZPXFISVMGIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c11-10(13)8-3-4-9-7(6-8)2-1-5-12-14-9/h1-6H,(H2,11,13).
What are the key properties of 1,2-benzoxazepine-7-carboxamide?
1,2-benzoxazepine-7-carboxamide has a molecular weight of 188.19 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-benzoxazepine-7-carboxamide is sourced from PubChem (CID 140733006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).