(7Z)-5-methyl-8-phenyl-3,4-dihydro-2H-1,5-oxazocin-6-one

C13H15NO2 — CID 139044590

IUPAC(7Z)-5-methyl-8-phenyl-3,4-dihydro-2H-1,5-oxazocin-6-one
SMILESCN1CCCO/C(c2ccccc2)=C\C1=O
InChIInChI=1S/C13H15NO2/c1-14-8-5-9-16-12(10-13(14)15)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3/b12-10-
InChIKeyRVSRXCGSAOMXQH-BENRWUELSA-N
MW217.27 g/mol
LogP1.91
Rot. Bonds1

About (7Z)-5-methyl-8-phenyl-3,4-dihydro-2H-1,5-oxazocin-6-one

(7Z)-5-methyl-8-phenyl-3,4-dihydro-2H-1,5-oxazocin-6-one (PubChem CID 139044590) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is (7Z)-5-methyl-8-phenyl-3,4-dihydro-2H-1,5-oxazocin-6-one.

Molecular Properties

Compound Name(7Z)-5-methyl-8-phenyl-3,4-dihydro-2H-1,5-oxazocin-6-one
PubChem CID139044590
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name(7Z)-5-methyl-8-phenyl-3,4-dihydro-2H-1,5-oxazocin-6-one
SMILESCN1CCCO/C(c2ccccc2)=C\C1=O
InChIInChI=1S/C13H15NO2/c1-14-8-5-9-16-12(10-13(14)15)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3/b12-10-
InChIKeyRVSRXCGSAOMXQH-BENRWUELSA-N
XLogP1.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (7Z)-5-methyl-8-phenyl-3,4-dihydro-2H-1,5-oxazocin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Benzyloxy-2(1H)-pyridone
CID 3607724
4-Benzyloxy-3-pyrrolin-2-one
CID 2724741
Benzyl 5,6-dihydropyridine-1(2H)-carboxylate
CID 11458613
1-(3-Methylbutyl)-2-oxo-4-phenylmethoxypyridine-3-carbonitrile
CID 118714734
Benzyl 5-methyl-1,2,3,6-tetrahydropyridine-1-carboxylate
CID 118388619
4-Phenylmethoxy-1-prop-2-ynylpyridin-2-one
CID 44449560
1-[4-(3-Phenylmethoxypropyl)piperazin-1-yl]prop-2-en-1-one
CID 172453752
1-(Difluoromethyl)-4-phenylmethoxypyridin-2-one
CID 22050879
benzyl N,N-dipropylcarbamate
CID 11846245
N~3~,N~3~-dimethyl-2-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
CID 53015438
N~3~-(cyanomethyl)-N~3~-methyl-2-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
CID 53015550
N-methyl-N-[phenyl-[(E)-prop-1-enoxy]methyl]acetamide
CID 15852656

Frequently Asked Questions

What is the IUPAC name of (7Z)-5-methyl-8-phenyl-3,4-dihydro-2H-1,5-oxazocin-6-one?
The IUPAC name of (7Z)-5-methyl-8-phenyl-3,4-dihydro-2H-1,5-oxazocin-6-one (CID 139044590) is (7Z)-5-methyl-8-phenyl-3,4-dihydro-2H-1,5-oxazocin-6-one.
What is the SMILES notation for (7Z)-5-methyl-8-phenyl-3,4-dihydro-2H-1,5-oxazocin-6-one?
The canonical SMILES for (7Z)-5-methyl-8-phenyl-3,4-dihydro-2H-1,5-oxazocin-6-one is CN1CCCO/C(c2ccccc2)=C\C1=O.
What is the InChIKey of (7Z)-5-methyl-8-phenyl-3,4-dihydro-2H-1,5-oxazocin-6-one?
The InChIKey is RVSRXCGSAOMXQH-BENRWUELSA-N. The full InChI is InChI=1S/C13H15NO2/c1-14-8-5-9-16-12(10-13(14)15)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3/b12-10-.
What are the key properties of (7Z)-5-methyl-8-phenyl-3,4-dihydro-2H-1,5-oxazocin-6-one?
(7Z)-5-methyl-8-phenyl-3,4-dihydro-2H-1,5-oxazocin-6-one has a molecular weight of 217.27 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-5-methyl-8-phenyl-3,4-dihydro-2H-1,5-oxazocin-6-one is sourced from PubChem (CID 139044590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).