4-oxo-N-(oxolan-2-ylmethyl)-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide

C15H18N2O4 — CID 110763952

IUPAC4-oxo-N-(oxolan-2-ylmethyl)-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide
SMILESO=C1CCOc2ccc(C(=O)NCC3CCCO3)cc2N1
InChIInChI=1S/C15H18N2O4/c18-14-5-7-21-13-4-3-10(8-12(13)17-14)15(19)16-9-11-2-1-6-20-11/h3-4,8,11H,1-2,5-7,9H2,(H,16,19)(H,17,18)
InChIKeyDXKMAAAUYYXVJV-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.32
Rot. Bonds3

About 4-oxo-N-(oxolan-2-ylmethyl)-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide

4-oxo-N-(oxolan-2-ylmethyl)-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide (PubChem CID 110763952) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-oxo-N-(oxolan-2-ylmethyl)-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(oxolan-2-ylmethyl)-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide
PubChem CID110763952
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name4-oxo-N-(oxolan-2-ylmethyl)-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide
SMILESO=C1CCOc2ccc(C(=O)NCC3CCCO3)cc2N1
InChIInChI=1S/C15H18N2O4/c18-14-5-7-21-13-4-3-10(8-12(13)17-14)15(19)16-9-11-2-1-6-20-11/h3-4,8,11H,1-2,5-7,9H2,(H,16,19)(H,17,18)
InChIKeyDXKMAAAUYYXVJV-UHFFFAOYSA-N
XLogP1.32
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18108766
N-[(4-chlorophenyl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide
CID 110763970
9,10-dioxo-N-[[(2S)-oxolan-2-yl]methyl]anthracene-2-carboxamide
CID 42559548
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
N-(4-fluorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide
CID 110764030
N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 110489055
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
7-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 110801192
N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 46542044
N-(oxolan-2-ylmethyl)-1H-indole-5-carboxamide
CID 63717299
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(oxolan-2-ylmethyl)-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide?
The IUPAC name of 4-oxo-N-(oxolan-2-ylmethyl)-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide (CID 110763952) is 4-oxo-N-(oxolan-2-ylmethyl)-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide.
What is the SMILES notation for 4-oxo-N-(oxolan-2-ylmethyl)-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide?
The canonical SMILES for 4-oxo-N-(oxolan-2-ylmethyl)-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide is O=C1CCOc2ccc(C(=O)NCC3CCCO3)cc2N1.
What is the InChIKey of 4-oxo-N-(oxolan-2-ylmethyl)-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide?
The InChIKey is DXKMAAAUYYXVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-14-5-7-21-13-4-3-10(8-12(13)17-14)15(19)16-9-11-2-1-6-20-11/h3-4,8,11H,1-2,5-7,9H2,(H,16,19)(H,17,18).
What are the key properties of 4-oxo-N-(oxolan-2-ylmethyl)-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide?
4-oxo-N-(oxolan-2-ylmethyl)-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(oxolan-2-ylmethyl)-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide is sourced from PubChem (CID 110763952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).