2,4-dimethyl-1,2-oxazolidine-4-carbonitrile

C6H10N2O — CID 170253163

IUPAC2,4-dimethyl-1,2-oxazolidine-4-carbonitrile
SMILESCN1CC(C)(C#N)CO1
InChIInChI=1S/C6H10N2O/c1-6(3-7)4-8(2)9-5-6/h4-5H2,1-2H3
InChIKeyWUVHLWYFDUHQIP-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.39
Rot. Bonds

About 2,4-dimethyl-1,2-oxazolidine-4-carbonitrile

2,4-dimethyl-1,2-oxazolidine-4-carbonitrile (PubChem CID 170253163) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 2,4-dimethyl-1,2-oxazolidine-4-carbonitrile.

Molecular Properties

Compound Name2,4-dimethyl-1,2-oxazolidine-4-carbonitrile
PubChem CID170253163
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name2,4-dimethyl-1,2-oxazolidine-4-carbonitrile
SMILESCN1CC(C)(C#N)CO1
InChIInChI=1S/C6H10N2O/c1-6(3-7)4-8(2)9-5-6/h4-5H2,1-2H3
InChIKeyWUVHLWYFDUHQIP-UHFFFAOYSA-N
XLogP0.39
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4-dimethyl-1,2-oxazolidine-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

methyl 4-cyano-2-methyl-1,2-oxazolidine-4-carboxylate
CID 166717131
ethane;1-methylcyclopropane-1-carbonitrile
CID 142227750
3-methyl-1-(1-methylazetidin-3-yl)azetidine-3-carbonitrile
CID 156546474
1-tert-butyl-3-methylpyrrolidine-3-carbonitrile
CID 129119605
3-methyl-1-pentylpyrrolidine-3-carbonitrile
CID 142123327
1-(2-fluoroethyl)-4-methylpiperidine-4-carbonitrile
CID 103993957
4-methylthiane-4-carbonitrile
CID 67344978
1-(1-tert-butylazetidin-3-yl)-3-methylazetidine-3-carbonitrile
CID 167292339
1-(2-fluoro-2-methylpropanoyl)-3-methylazetidine-3-carbonitrile
CID 126992670
3-amino-1-methylcyclobutane-1-carbonitrile;hydrochloride
CID 139562380
cis-(3S,5R)-1,3,5-trimethylcyclohexane-1-carbonitrile
CID 59970295
3-methyl-1-(3-methylbutanoyl)azetidine-3-carbonitrile
CID 130917722

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1,2-oxazolidine-4-carbonitrile?
The IUPAC name of 2,4-dimethyl-1,2-oxazolidine-4-carbonitrile (CID 170253163) is 2,4-dimethyl-1,2-oxazolidine-4-carbonitrile.
What is the SMILES notation for 2,4-dimethyl-1,2-oxazolidine-4-carbonitrile?
The canonical SMILES for 2,4-dimethyl-1,2-oxazolidine-4-carbonitrile is CN1CC(C)(C#N)CO1.
What is the InChIKey of 2,4-dimethyl-1,2-oxazolidine-4-carbonitrile?
The InChIKey is WUVHLWYFDUHQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-6(3-7)4-8(2)9-5-6/h4-5H2,1-2H3.
What are the key properties of 2,4-dimethyl-1,2-oxazolidine-4-carbonitrile?
2,4-dimethyl-1,2-oxazolidine-4-carbonitrile has a molecular weight of 126.16 g/mol, XLogP of 0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,2-oxazolidine-4-carbonitrile is sourced from PubChem (CID 170253163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).