2,3,4,5-tetrahydro-1,5-benzoxazepine-4-carboxamide

C10H12N2O2 — CID 173209425

IUPAC2,3,4,5-tetrahydro-1,5-benzoxazepine-4-carboxamide
SMILESNC(=O)C1CCOc2ccccc2N1
InChIInChI=1S/C10H12N2O2/c11-10(13)8-5-6-14-9-4-2-1-3-7(9)12-8/h1-4,8,12H,5-6H2,(H2,11,13)
InChIKeyGAJDAXSQQXVDLI-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.73
Rot. Bonds1

About 2,3,4,5-tetrahydro-1,5-benzoxazepine-4-carboxamide

2,3,4,5-tetrahydro-1,5-benzoxazepine-4-carboxamide (PubChem CID 173209425) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2,3,4,5-tetrahydro-1,5-benzoxazepine-4-carboxamide.

Molecular Properties

Compound Name2,3,4,5-tetrahydro-1,5-benzoxazepine-4-carboxamide
PubChem CID173209425
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2,3,4,5-tetrahydro-1,5-benzoxazepine-4-carboxamide
SMILESNC(=O)C1CCOc2ccccc2N1
InChIInChI=1S/C10H12N2O2/c11-10(13)8-5-6-14-9-4-2-1-3-7(9)12-8/h1-4,8,12H,5-6H2,(H2,11,13)
InChIKeyGAJDAXSQQXVDLI-UHFFFAOYSA-N
XLogP0.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3,4-dihydro-2H-1,4-benzoxazine-3-carboxylic acid
CID 95426412
ethyl (3R)-3,4-dihydro-2H-1,4-benzoxazine-3-carboxylate
CID 22882442
1,2,3,4-tetrahydro-1-benzazocine-2-carboxamide
CID 71144345
carbamic acid;2,3-dihydro-1,4-benzodioxine
CID 67613608
oxalic acid;2,3,4,5-tetrahydro-1-benzoxepin-4-amine
CID 118995107
2-[(4S)-3,4-dihydro-2H-chromen-4-yl]guanidine
CID 94480482
2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
CID 140922627
3,4-dihydro-1H-2,5,1-benzodioxazepine
CID 70396307
ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate;ethyl 3,4-dihydro-2H-1,4-benzoxazine-3-carboxylate
CID 158675518
N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 144570089
9,12,15,18,21,24-hexaoxa-2-azatricyclo[23.4.0.03,8]nonacosa-1(29),3,5,7,25,27-hexaene
CID 15468632
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrahydro-1,5-benzoxazepine-4-carboxamide?
The IUPAC name of 2,3,4,5-tetrahydro-1,5-benzoxazepine-4-carboxamide (CID 173209425) is 2,3,4,5-tetrahydro-1,5-benzoxazepine-4-carboxamide.
What is the SMILES notation for 2,3,4,5-tetrahydro-1,5-benzoxazepine-4-carboxamide?
The canonical SMILES for 2,3,4,5-tetrahydro-1,5-benzoxazepine-4-carboxamide is NC(=O)C1CCOc2ccccc2N1.
What is the InChIKey of 2,3,4,5-tetrahydro-1,5-benzoxazepine-4-carboxamide?
The InChIKey is GAJDAXSQQXVDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c11-10(13)8-5-6-14-9-4-2-1-3-7(9)12-8/h1-4,8,12H,5-6H2,(H2,11,13).
What are the key properties of 2,3,4,5-tetrahydro-1,5-benzoxazepine-4-carboxamide?
2,3,4,5-tetrahydro-1,5-benzoxazepine-4-carboxamide has a molecular weight of 192.22 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydro-1,5-benzoxazepine-4-carboxamide is sourced from PubChem (CID 173209425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).