2-oxo-3-(2-propan-2-yloxyphenyl)-1,3-oxazinane-5-carbonitrile

C14H16N2O3 — CID 117010595

IUPAC2-oxo-3-(2-propan-2-yloxyphenyl)-1,3-oxazinane-5-carbonitrile
SMILESCC(C)Oc1ccccc1N1CC(C#N)COC1=O
InChIInChI=1S/C14H16N2O3/c1-10(2)19-13-6-4-3-5-12(13)16-8-11(7-15)9-18-14(16)17/h3-6,10-11H,8-9H2,1-2H3
InChIKeyVFCVOXCTWBOBSH-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.57
Rot. Bonds3

About 2-oxo-3-(2-propan-2-yloxyphenyl)-1,3-oxazinane-5-carbonitrile

2-oxo-3-(2-propan-2-yloxyphenyl)-1,3-oxazinane-5-carbonitrile (PubChem CID 117010595) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-oxo-3-(2-propan-2-yloxyphenyl)-1,3-oxazinane-5-carbonitrile.

Molecular Properties

Compound Name2-oxo-3-(2-propan-2-yloxyphenyl)-1,3-oxazinane-5-carbonitrile
PubChem CID117010595
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-oxo-3-(2-propan-2-yloxyphenyl)-1,3-oxazinane-5-carbonitrile
SMILESCC(C)Oc1ccccc1N1CC(C#N)COC1=O
InChIInChI=1S/C14H16N2O3/c1-10(2)19-13-6-4-3-5-12(13)16-8-11(7-15)9-18-14(16)17/h3-6,10-11H,8-9H2,1-2H3
InChIKeyVFCVOXCTWBOBSH-UHFFFAOYSA-N
XLogP2.57
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-oxo-3-(2-propan-2-yloxyphenyl)-1,3-oxazinane-5-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-(2-methyl-6-propan-2-ylphenyl)-2-oxo-1,3-oxazinane-5-carbonitrile
CID 117010571
3-(4-fluorophenyl)-2-oxo-1,3-oxazinane-5-carbonitrile
CID 117010575
1-methyl-3-(2-propan-2-yloxyphenyl)imidazolidin-2-one
CID 117026499
1-methyl-4-(2-propan-2-yloxyphenyl)piperazine-2,5-dione
CID 117026343
3-methyl-2-oxo-1,3-oxazinane-5-carbonitrile
CID 117010522
5-(2-hydroxyethyl)-3-(2-methoxyphenyl)-1,3-oxazinan-2-one
CID 117011181
methyl 5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxylate
CID 168692995
1-(2-propan-2-yloxyphenyl)azetidin-3-amine
CID 117002832
3-methyl-2-oxo-N-(2-propan-2-yloxyphenyl)-1,3-oxazolidine-4-carboxamide
CID 110650352
5-(aminomethyl)-3-(4-propan-2-yloxyphenyl)-1,3-oxazinan-2-one
CID 117002268
N-cyclopentyl-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188245
5,5-dimethyl-1-(2-propan-2-yloxyphenyl)pyrrolidin-3-amine
CID 117018146

Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-(2-propan-2-yloxyphenyl)-1,3-oxazinane-5-carbonitrile?
The IUPAC name of 2-oxo-3-(2-propan-2-yloxyphenyl)-1,3-oxazinane-5-carbonitrile (CID 117010595) is 2-oxo-3-(2-propan-2-yloxyphenyl)-1,3-oxazinane-5-carbonitrile.
What is the SMILES notation for 2-oxo-3-(2-propan-2-yloxyphenyl)-1,3-oxazinane-5-carbonitrile?
The canonical SMILES for 2-oxo-3-(2-propan-2-yloxyphenyl)-1,3-oxazinane-5-carbonitrile is CC(C)Oc1ccccc1N1CC(C#N)COC1=O.
What is the InChIKey of 2-oxo-3-(2-propan-2-yloxyphenyl)-1,3-oxazinane-5-carbonitrile?
The InChIKey is VFCVOXCTWBOBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10(2)19-13-6-4-3-5-12(13)16-8-11(7-15)9-18-14(16)17/h3-6,10-11H,8-9H2,1-2H3.
What are the key properties of 2-oxo-3-(2-propan-2-yloxyphenyl)-1,3-oxazinane-5-carbonitrile?
2-oxo-3-(2-propan-2-yloxyphenyl)-1,3-oxazinane-5-carbonitrile has a molecular weight of 260.29 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-(2-propan-2-yloxyphenyl)-1,3-oxazinane-5-carbonitrile is sourced from PubChem (CID 117010595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).