1-(1,2-oxazole-3-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one

C14H12N2O3 — CID 114336592

IUPAC1-(1,2-oxazole-3-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
SMILESO=C1CCCN(C(=O)c2ccon2)c2ccccc21
InChIInChI=1S/C14H12N2O3/c17-13-6-3-8-16(12-5-2-1-4-10(12)13)14(18)11-7-9-19-15-11/h1-2,4-5,7,9H,3,6,8H2
InChIKeyWVMDRHHMIQLYDZ-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.30
Rot. Bonds1

About 1-(1,2-oxazole-3-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one

1-(1,2-oxazole-3-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one (PubChem CID 114336592) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 1-(1,2-oxazole-3-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one.

Molecular Properties

Compound Name1-(1,2-oxazole-3-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
PubChem CID114336592
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name1-(1,2-oxazole-3-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
SMILESO=C1CCCN(C(=O)c2ccon2)c2ccccc21
InChIInChI=1S/C14H12N2O3/c17-13-6-3-8-16(12-5-2-1-4-10(12)13)14(18)11-7-9-19-15-11/h1-2,4-5,7,9H,3,6,8H2
InChIKeyWVMDRHHMIQLYDZ-UHFFFAOYSA-N
XLogP2.30
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336521
1-(2-methylpyrazole-3-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336551
1-(5-methylfuran-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336564
1-(2-bromobenzoyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336539
1-(5-methylthiophene-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336602
1-(2-methylpropanoyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336498
1-(4-aminobenzoyl)-2,3,4,5-tetrahydro-1-benzazocin-6-one
CID 19608125
N-tert-butyl-5-oxo-3,4-dihydro-2H-1-benzazepine-1-carboxamide
CID 114336650
1-(4,5-dibromothiophene-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336639
1-(1-methylcyclohexanecarbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 106827391
[4-(2-fluorophenyl)piperazin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 110693755
1-(2-cyclopentylacetyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336606

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazole-3-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one?
The IUPAC name of 1-(1,2-oxazole-3-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one (CID 114336592) is 1-(1,2-oxazole-3-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one.
What is the SMILES notation for 1-(1,2-oxazole-3-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one?
The canonical SMILES for 1-(1,2-oxazole-3-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one is O=C1CCCN(C(=O)c2ccon2)c2ccccc21.
What is the InChIKey of 1-(1,2-oxazole-3-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one?
The InChIKey is WVMDRHHMIQLYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c17-13-6-3-8-16(12-5-2-1-4-10(12)13)14(18)11-7-9-19-15-11/h1-2,4-5,7,9H,3,6,8H2.
What are the key properties of 1-(1,2-oxazole-3-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one?
1-(1,2-oxazole-3-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one has a molecular weight of 256.26 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazole-3-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one is sourced from PubChem (CID 114336592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).