4-methyl-3-pyrrolidin-2-yl-2H-1,2-oxazol-5-one

C8H12N2O2 — CID 130794068

IUPAC4-methyl-3-pyrrolidin-2-yl-2H-1,2-oxazol-5-one
SMILESCc1c(C2CCCN2)[nH]oc1=O
InChIInChI=1S/C8H12N2O2/c1-5-7(10-12-8(5)11)6-3-2-4-9-6/h6,9-10H,2-4H2,1H3
InChIKeyXXOLYTFORBUBNR-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.70
Rot. Bonds1

About 4-methyl-3-pyrrolidin-2-yl-2H-1,2-oxazol-5-one

4-methyl-3-pyrrolidin-2-yl-2H-1,2-oxazol-5-one (PubChem CID 130794068) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 4-methyl-3-pyrrolidin-2-yl-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name4-methyl-3-pyrrolidin-2-yl-2H-1,2-oxazol-5-one
PubChem CID130794068
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name4-methyl-3-pyrrolidin-2-yl-2H-1,2-oxazol-5-one
SMILESCc1c(C2CCCN2)[nH]oc1=O
InChIInChI=1S/C8H12N2O2/c1-5-7(10-12-8(5)11)6-3-2-4-9-6/h6,9-10H,2-4H2,1H3
InChIKeyXXOLYTFORBUBNR-UHFFFAOYSA-N
XLogP0.70
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S)-pyrrolidin-2-yl]-2H-1,2-oxazol-5-one
CID 83845605
2-methyl-6-[(2S)-pyrrolidin-2-yl]-1H-pyridin-4-one
CID 56838322
3,5-dimethyl-2-[(2S)-pyrrolidin-2-yl]-1H-pyrrole
CID 55293321
3,4,6-trimethyl-2-pyrrolidin-2-yl-1H-indole
CID 84625644
2-methyl-5-[(2S)-pyrrolidin-2-yl]-1H-pyridin-4-one
CID 131137914
6,7-dimethyl-2-pyrrolidin-2-yl-1H-indole
CID 84622007
2-(2,5-dimethylfuran-3-yl)pyrrolidine
CID 54594405
(2R)-2-(3-methylfuran-2-yl)pyrrolidine
CID 96733783
(2S)-2-(4-methylfuran-3-yl)pyrrolidine
CID 96733805
2-(5-methylfuran-3-yl)pyrrolidine
CID 82594860
(2R)-2-(4-methylphenyl)pyrrolidine
CID 7047871
3-ethyl-4-methyl-5-pyrrolidin-2-yl-1,2-oxazole
CID 83846525

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-pyrrolidin-2-yl-2H-1,2-oxazol-5-one?
The IUPAC name of 4-methyl-3-pyrrolidin-2-yl-2H-1,2-oxazol-5-one (CID 130794068) is 4-methyl-3-pyrrolidin-2-yl-2H-1,2-oxazol-5-one.
What is the SMILES notation for 4-methyl-3-pyrrolidin-2-yl-2H-1,2-oxazol-5-one?
The canonical SMILES for 4-methyl-3-pyrrolidin-2-yl-2H-1,2-oxazol-5-one is Cc1c(C2CCCN2)[nH]oc1=O.
What is the InChIKey of 4-methyl-3-pyrrolidin-2-yl-2H-1,2-oxazol-5-one?
The InChIKey is XXOLYTFORBUBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5-7(10-12-8(5)11)6-3-2-4-9-6/h6,9-10H,2-4H2,1H3.
What are the key properties of 4-methyl-3-pyrrolidin-2-yl-2H-1,2-oxazol-5-one?
4-methyl-3-pyrrolidin-2-yl-2H-1,2-oxazol-5-one has a molecular weight of 168.20 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-pyrrolidin-2-yl-2H-1,2-oxazol-5-one is sourced from PubChem (CID 130794068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).