6-(4-methylphenyl)-1,3,4-oxadiazinan-2-one

C10H12N2O2 — CID 105445915

IUPAC6-(4-methylphenyl)-1,3,4-oxadiazinan-2-one
SMILESCc1ccc(C2CNNC(=O)O2)cc1
InChIInChI=1S/C10H12N2O2/c1-7-2-4-8(5-3-7)9-6-11-12-10(13)14-9/h2-5,9,11H,6H2,1H3,(H,12,13)
InChIKeyUAJWYRSTPPHKBK-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.28
Rot. Bonds1

About 6-(4-methylphenyl)-1,3,4-oxadiazinan-2-one

6-(4-methylphenyl)-1,3,4-oxadiazinan-2-one (PubChem CID 105445915) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 6-(4-methylphenyl)-1,3,4-oxadiazinan-2-one.

Molecular Properties

Compound Name6-(4-methylphenyl)-1,3,4-oxadiazinan-2-one
PubChem CID105445915
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name6-(4-methylphenyl)-1,3,4-oxadiazinan-2-one
SMILESCc1ccc(C2CNNC(=O)O2)cc1
InChIInChI=1S/C10H12N2O2/c1-7-2-4-8(5-3-7)9-6-11-12-10(13)14-9/h2-5,9,11H,6H2,1H3,(H,12,13)
InChIKeyUAJWYRSTPPHKBK-UHFFFAOYSA-N
XLogP1.28
TPSA50.36 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 ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(4-methylphenyl)-1,3,4-oxadiazinan-2-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

(5S)-3,3-dimethyl-5-(4-methylphenyl)oxolan-2-one
CID 155934344
3-(methylamino)-5-(4-methylphenyl)oxolan-2-one
CID 23008775
5-[4-(4-methoxyphenyl)phenyl]-1,3-oxazolidin-2-one
CID 82367269
(5S)-5-(3-methylphenyl)-1,3-oxazolidin-2-one
CID 69282063
5-methyl-2-(4-methylphenyl)-2,3-dihydropyran-4-one
CID 86228803
2-methylpropane;(5R)-5-phenyl-1,3-oxazolidin-2-one
CID 158495868
2-(4-methylphenyl)-2,3-dihydrochromen-4-one
CID 2802466
(4R,6S)-6-(4-methylphenyl)-4-phenyloxan-2-one
CID 127256657
7-methyl-2-phenyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 102196486
5-(4-methylphenyl)-2-propan-2-ylideneoxolan-3-one
CID 23250317
(4R,5R)-4-(4-methylphenyl)-5-phenyl-1,3-dioxolan-2-one
CID 177461861
3-(2-aminoethyl)-5-(4-methylphenyl)-1,3-oxazolidin-2-one
CID 82079805

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-1,3,4-oxadiazinan-2-one?
The IUPAC name of 6-(4-methylphenyl)-1,3,4-oxadiazinan-2-one (CID 105445915) is 6-(4-methylphenyl)-1,3,4-oxadiazinan-2-one.
What is the SMILES notation for 6-(4-methylphenyl)-1,3,4-oxadiazinan-2-one?
The canonical SMILES for 6-(4-methylphenyl)-1,3,4-oxadiazinan-2-one is Cc1ccc(C2CNNC(=O)O2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-1,3,4-oxadiazinan-2-one?
The InChIKey is UAJWYRSTPPHKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-7-2-4-8(5-3-7)9-6-11-12-10(13)14-9/h2-5,9,11H,6H2,1H3,(H,12,13).
What are the key properties of 6-(4-methylphenyl)-1,3,4-oxadiazinan-2-one?
6-(4-methylphenyl)-1,3,4-oxadiazinan-2-one has a molecular weight of 192.22 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-1,3,4-oxadiazinan-2-one is sourced from PubChem (CID 105445915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).