benzo[b][1,4]benzoxazepine-1-carboxamide

C14H10N2O2 — CID 42635522

IUPACbenzo[b][1,4]benzoxazepine-1-carboxamide
SMILESNC(=O)c1cccc2c1Oc1ccccc1C=N2
InChIInChI=1S/C14H10N2O2/c15-14(17)10-5-3-6-11-13(10)18-12-7-2-1-4-9(12)8-16-11/h1-8H,(H2,15,17)
InChIKeyPTHBOTMILXORGK-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.64
Rot. Bonds1

About benzo[b][1,4]benzoxazepine-1-carboxamide

benzo[b][1,4]benzoxazepine-1-carboxamide (PubChem CID 42635522) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is benzo[b][1,4]benzoxazepine-1-carboxamide.

Molecular Properties

Compound Namebenzo[b][1,4]benzoxazepine-1-carboxamide
PubChem CID42635522
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Namebenzo[b][1,4]benzoxazepine-1-carboxamide
SMILESNC(=O)c1cccc2c1Oc1ccccc1C=N2
InChIInChI=1S/C14H10N2O2/c15-14(17)10-5-3-6-11-13(10)18-12-7-2-1-4-9(12)8-16-11/h1-8H,(H2,15,17)
InChIKeyPTHBOTMILXORGK-UHFFFAOYSA-N
XLogP2.64
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzo[b][1,4]benzoxazepine-1-carboxamide?
The IUPAC name of benzo[b][1,4]benzoxazepine-1-carboxamide (CID 42635522) is benzo[b][1,4]benzoxazepine-1-carboxamide.
What is the SMILES notation for benzo[b][1,4]benzoxazepine-1-carboxamide?
The canonical SMILES for benzo[b][1,4]benzoxazepine-1-carboxamide is NC(=O)c1cccc2c1Oc1ccccc1C=N2.
What is the InChIKey of benzo[b][1,4]benzoxazepine-1-carboxamide?
The InChIKey is PTHBOTMILXORGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c15-14(17)10-5-3-6-11-13(10)18-12-7-2-1-4-9(12)8-16-11/h1-8H,(H2,15,17).
What are the key properties of benzo[b][1,4]benzoxazepine-1-carboxamide?
benzo[b][1,4]benzoxazepine-1-carboxamide has a molecular weight of 238.25 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[b][1,4]benzoxazepine-1-carboxamide is sourced from PubChem (CID 42635522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).