5-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazepine-7-carboxamide

C16H19N3O4 — CID 136565497

IUPAC5-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazepine-7-carboxamide
SMILESO=C(NCCN1CCCC1=O)c1ccc2c(c1)C(=O)NCCO2
InChIInChI=1S/C16H19N3O4/c20-14-2-1-7-19(14)8-5-17-15(21)11-3-4-13-12(10-11)16(22)18-6-9-23-13/h3-4,10H,1-2,5-9H2,(H,17,21)(H,18,22)
InChIKeyLZCXYNYNIKGLLL-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.16
Rot. Bonds4

About 5-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazepine-7-carboxamide

5-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazepine-7-carboxamide (PubChem CID 136565497) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 5-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazepine-7-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazepine-7-carboxamide
PubChem CID136565497
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name5-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazepine-7-carboxamide
SMILESO=C(NCCN1CCCC1=O)c1ccc2c(c1)C(=O)NCCO2
InChIInChI=1S/C16H19N3O4/c20-14-2-1-7-19(14)8-5-17-15(21)11-3-4-13-12(10-11)16(22)18-6-9-23-13/h3-4,10H,1-2,5-9H2,(H,17,21)(H,18,22)
InChIKeyLZCXYNYNIKGLLL-UHFFFAOYSA-N
XLogP0.16
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-fluoro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide
CID 90650238
2-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 91793022
4-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl]benzene-1,3-dicarboxylic acid
CID 134109822
3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4H-1,4-benzoxazine-7-carboxamide
CID 30483275
N-(1-ethyl-5-methylpyrazol-4-yl)-5-oxo-3,4-dihydro-2H-1,4-benzoxazepine-7-carboxamide
CID 138024236
3-(2-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide
CID 50959619
3-chloro-4-iodo-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 103734648
4-(4-chloro-2-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide
CID 121497318
N-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]-5-oxo-3,4-dihydro-2H-1,4-benzoxazepine-7-carboxamide
CID 138023599
7-(bicyclo[3.1.0]hexane-6-carbonyl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 104525471
2-chloro-N-(5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)acetamide
CID 166415004
N-[2-(2-oxoazepan-1-yl)ethyl]furan-3-carboxamide
CID 39514014

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazepine-7-carboxamide?
The IUPAC name of 5-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazepine-7-carboxamide (CID 136565497) is 5-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazepine-7-carboxamide.
What is the SMILES notation for 5-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazepine-7-carboxamide?
The canonical SMILES for 5-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazepine-7-carboxamide is O=C(NCCN1CCCC1=O)c1ccc2c(c1)C(=O)NCCO2.
What is the InChIKey of 5-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazepine-7-carboxamide?
The InChIKey is LZCXYNYNIKGLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c20-14-2-1-7-19(14)8-5-17-15(21)11-3-4-13-12(10-11)16(22)18-6-9-23-13/h3-4,10H,1-2,5-9H2,(H,17,21)(H,18,22).
What are the key properties of 5-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazepine-7-carboxamide?
5-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazepine-7-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazepine-7-carboxamide is sourced from PubChem (CID 136565497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).