(3-fluorophenyl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone

C15H15FN2O2 — CID 22586633

IUPAC(3-fluorophenyl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc(C2CCCN2C(=O)c2cccc(F)c2)no1
InChIInChI=1S/C15H15FN2O2/c1-10-8-13(17-20-10)14-6-3-7-18(14)15(19)11-4-2-5-12(16)9-11/h2,4-5,8-9,14H,3,6-7H2,1H3
InChIKeyPYEURFUJLAAQER-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.10
Rot. Bonds2

About (3-fluorophenyl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone

(3-fluorophenyl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 22586633) has the molecular formula C15H15FN2O2 and a molecular weight of 274.29 g/mol. Its IUPAC name is (3-fluorophenyl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID22586633
Molecular FormulaC15H15FN2O2
Molecular Weight274.29 g/mol
Exact Mass274.11
IUPAC Name(3-fluorophenyl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc(C2CCCN2C(=O)c2cccc(F)c2)no1
InChIInChI=1S/C15H15FN2O2/c1-10-8-13(17-20-10)14-6-3-7-18(14)15(19)11-4-2-5-12(16)9-11/h2,4-5,8-9,14H,3,6-7H2,1H3
InChIKeyPYEURFUJLAAQER-UHFFFAOYSA-N
XLogP3.10
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-fluorophenyl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone (CID 22586633) is (3-fluorophenyl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone is Cc1cc(C2CCCN2C(=O)c2cccc(F)c2)no1.
What is the InChIKey of (3-fluorophenyl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is PYEURFUJLAAQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-10-8-13(17-20-10)14-6-3-7-18(14)15(19)11-4-2-5-12(16)9-11/h2,4-5,8-9,14H,3,6-7H2,1H3.
What are the key properties of (3-fluorophenyl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
(3-fluorophenyl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 274.29 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 22586633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).