1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-oxopyrrolidine-3-carbonitrile

C12H15N3O2 — CID 79238048

IUPAC1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-oxopyrrolidine-3-carbonitrile
SMILESCc1noc(C)c1C(C)N1CC(C#N)CC1=O
InChIInChI=1S/C12H15N3O2/c1-7-12(9(3)17-14-7)8(2)15-6-10(5-13)4-11(15)16/h8,10H,4,6H2,1-3H3
InChIKeyOHPHQAJAZGEAMO-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.72
Rot. Bonds2

About 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-oxopyrrolidine-3-carbonitrile

1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-oxopyrrolidine-3-carbonitrile (PubChem CID 79238048) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-oxopyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-oxopyrrolidine-3-carbonitrile
PubChem CID79238048
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-oxopyrrolidine-3-carbonitrile
SMILESCc1noc(C)c1C(C)N1CC(C#N)CC1=O
InChIInChI=1S/C12H15N3O2/c1-7-12(9(3)17-14-7)8(2)15-6-10(5-13)4-11(15)16/h8,10H,4,6H2,1-3H3
InChIKeyOHPHQAJAZGEAMO-UHFFFAOYSA-N
XLogP1.72
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-oxopyrrolidine-3-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

1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3-diazinane-2,4-dione
CID 79777408
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 79237918
1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl thiocyanate
CID 142354021
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrrolidin-2-imine
CID 79242180
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-methylpiperidin-4-amine
CID 79241941
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethylpyrrolidin-3-amine
CID 79242016
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidine-4-carbonitrile
CID 49063486
3,5-dimethyl-4-[1-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2-oxazole
CID 79237828
4-[1-(2,5-diethylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole
CID 79237988
4-[1-(5-ethyl-2-methylpiperazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole
CID 79238271
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111631027
(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine;hydrochloride
CID 127263741

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-oxopyrrolidine-3-carbonitrile?
The IUPAC name of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-oxopyrrolidine-3-carbonitrile (CID 79238048) is 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-oxopyrrolidine-3-carbonitrile.
What is the SMILES notation for 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-oxopyrrolidine-3-carbonitrile?
The canonical SMILES for 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-oxopyrrolidine-3-carbonitrile is Cc1noc(C)c1C(C)N1CC(C#N)CC1=O.
What is the InChIKey of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-oxopyrrolidine-3-carbonitrile?
The InChIKey is OHPHQAJAZGEAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-7-12(9(3)17-14-7)8(2)15-6-10(5-13)4-11(15)16/h8,10H,4,6H2,1-3H3.
What are the key properties of 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-oxopyrrolidine-3-carbonitrile?
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-oxopyrrolidine-3-carbonitrile has a molecular weight of 233.27 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-oxopyrrolidine-3-carbonitrile is sourced from PubChem (CID 79238048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).