2-oxo-3-(2-propan-2-ylphenyl)-1,3-oxazinane-4-carbonitrile

C14H16N2O2 — CID 117010661

IUPAC2-oxo-3-(2-propan-2-ylphenyl)-1,3-oxazinane-4-carbonitrile
SMILESCC(C)c1ccccc1N1C(=O)OCCC1C#N
InChIInChI=1S/C14H16N2O2/c1-10(2)12-5-3-4-6-13(12)16-11(9-15)7-8-18-14(16)17/h3-6,10-11H,7-8H2,1-2H3
InChIKeyYMTBDZZLZICOMV-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.05
Rot. Bonds2

About 2-oxo-3-(2-propan-2-ylphenyl)-1,3-oxazinane-4-carbonitrile

2-oxo-3-(2-propan-2-ylphenyl)-1,3-oxazinane-4-carbonitrile (PubChem CID 117010661) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-oxo-3-(2-propan-2-ylphenyl)-1,3-oxazinane-4-carbonitrile.

Molecular Properties

Compound Name2-oxo-3-(2-propan-2-ylphenyl)-1,3-oxazinane-4-carbonitrile
PubChem CID117010661
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-oxo-3-(2-propan-2-ylphenyl)-1,3-oxazinane-4-carbonitrile
SMILESCC(C)c1ccccc1N1C(=O)OCCC1C#N
InChIInChI=1S/C14H16N2O2/c1-10(2)12-5-3-4-6-13(12)16-11(9-15)7-8-18-14(16)17/h3-6,10-11H,7-8H2,1-2H3
InChIKeyYMTBDZZLZICOMV-UHFFFAOYSA-N
XLogP3.05
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-oxo-3-(2-propan-2-ylphenyl)-1,3-oxazinane-4-carbonitrile 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

3-(3-methylphenyl)-2-oxo-1,3-oxazinane-4-carbonitrile
CID 117010650
4-(2-propan-2-ylphenyl)morpholine-2,3-dione
CID 117005513
2-methyl-1-(2-propan-2-ylphenyl)pyrrolidine-3-carbonitrile
CID 117022435
4-amino-5-methyl-1-(2-propan-2-ylphenyl)pyrrolidin-2-one
CID 117022515
3,3a,4,5-tetrahydro-[1,3]oxazolo[4,3-d][1,5]benzoxazepin-1-one
CID 141496364
3-(2-methyl-6-propan-2-ylphenyl)-2-oxo-1,3-oxazinane-5-carbonitrile
CID 117010571
4-ethynyl-3-methyl-1,3-oxazinan-2-one
CID 89442280
2-[2,2-dimethyl-1-(2-propan-2-ylphenyl)pyrrolidin-3-yl]acetonitrile
CID 117017498
1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314
1-(2-propan-2-ylphenyl)pyrrolidine
CID 10607693
4-(2-aminoethyl)-3-(2-fluorophenyl)-1,3-oxazinan-2-one
CID 117010932
4-(hydroxymethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazinan-2-one
CID 117011448

Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-(2-propan-2-ylphenyl)-1,3-oxazinane-4-carbonitrile?
The IUPAC name of 2-oxo-3-(2-propan-2-ylphenyl)-1,3-oxazinane-4-carbonitrile (CID 117010661) is 2-oxo-3-(2-propan-2-ylphenyl)-1,3-oxazinane-4-carbonitrile.
What is the SMILES notation for 2-oxo-3-(2-propan-2-ylphenyl)-1,3-oxazinane-4-carbonitrile?
The canonical SMILES for 2-oxo-3-(2-propan-2-ylphenyl)-1,3-oxazinane-4-carbonitrile is CC(C)c1ccccc1N1C(=O)OCCC1C#N.
What is the InChIKey of 2-oxo-3-(2-propan-2-ylphenyl)-1,3-oxazinane-4-carbonitrile?
The InChIKey is YMTBDZZLZICOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10(2)12-5-3-4-6-13(12)16-11(9-15)7-8-18-14(16)17/h3-6,10-11H,7-8H2,1-2H3.
What are the key properties of 2-oxo-3-(2-propan-2-ylphenyl)-1,3-oxazinane-4-carbonitrile?
2-oxo-3-(2-propan-2-ylphenyl)-1,3-oxazinane-4-carbonitrile has a molecular weight of 244.29 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-(2-propan-2-ylphenyl)-1,3-oxazinane-4-carbonitrile is sourced from PubChem (CID 117010661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).