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

C9H12N2O2 — CID 67836870

IUPAC4-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-one
SMILESCc1cc(C2NC(=O)CC2C)on1
InChIInChI=1S/C9H12N2O2/c1-5-3-8(12)10-9(5)7-4-6(2)11-13-7/h4-5,9H,3H2,1-2H3,(H,10,12)
InChIKeyGQGLQHARZURXBR-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.18
Rot. Bonds1

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

4-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-one (PubChem CID 67836870) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 4-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-one
PubChem CID67836870
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name4-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-one
SMILESCc1cc(C2NC(=O)CC2C)on1
InChIInChI=1S/C9H12N2O2/c1-5-3-8(12)10-9(5)7-4-6(2)11-13-7/h4-5,9H,3H2,1-2H3,(H,10,12)
InChIKeyGQGLQHARZURXBR-UHFFFAOYSA-N
XLogP1.18
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-one?
The IUPAC name of 4-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-one (CID 67836870) is 4-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-one?
The canonical SMILES for 4-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-one is Cc1cc(C2NC(=O)CC2C)on1.
What is the InChIKey of 4-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-one?
The InChIKey is GQGLQHARZURXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-5-3-8(12)10-9(5)7-4-6(2)11-13-7/h4-5,9H,3H2,1-2H3,(H,10,12).
What are the key properties of 4-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-one?
4-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-one has a molecular weight of 180.21 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 67836870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).