4-(3-fluorophenyl)-5-pyrrolidin-2-yl-1,2-oxazole

C13H13FN2O — CID 115038784

IUPAC4-(3-fluorophenyl)-5-pyrrolidin-2-yl-1,2-oxazole
SMILESFc1cccc(-c2cnoc2C2CCCN2)c1
InChIInChI=1S/C13H13FN2O/c14-10-4-1-3-9(7-10)11-8-16-17-13(11)12-5-2-6-15-12/h1,3-4,7-8,12,15H,2,5-6H2
InChIKeySVURAPGHEFPCDC-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.91
Rot. Bonds2

About 4-(3-fluorophenyl)-5-pyrrolidin-2-yl-1,2-oxazole

4-(3-fluorophenyl)-5-pyrrolidin-2-yl-1,2-oxazole (PubChem CID 115038784) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-5-pyrrolidin-2-yl-1,2-oxazole.

Molecular Properties

Compound Name4-(3-fluorophenyl)-5-pyrrolidin-2-yl-1,2-oxazole
PubChem CID115038784
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name4-(3-fluorophenyl)-5-pyrrolidin-2-yl-1,2-oxazole
SMILESFc1cccc(-c2cnoc2C2CCCN2)c1
InChIInChI=1S/C13H13FN2O/c14-10-4-1-3-9(7-10)11-8-16-17-13(11)12-5-2-6-15-12/h1,3-4,7-8,12,15H,2,5-6H2
InChIKeySVURAPGHEFPCDC-UHFFFAOYSA-N
XLogP2.91
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-fluorophenyl)-5-pyrrolidin-2-yl-1,2-oxazole 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

4-(3-fluorophenyl)-5-piperidin-3-yl-1,2-oxazole
CID 115003798
4-(4-methylphenyl)-5-piperidin-2-yl-1,2-oxazole
CID 115003868
3-(3-fluorophenyl)-5-[(2R)-pyrrolidin-2-yl]-1,2-oxazole
CID 69491718
5-chloro-4-(3-fluorophenyl)-1,2-oxazole
CID 84667900
3-[5-(3-fluorophenyl)-2-pyridinyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 71088454
5-bromo-4-(3-fluorophenyl)-1,2-oxazole
CID 84703029
4-(3-fluorophenyl)-5-(pyrrolidin-3-ylmethyl)-1,2-oxazole
CID 115054030
(2R)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidine
CID 51884033
5-pyrrolidin-2-yl-1,2-oxazole-4-carbaldehyde
CID 115093494
4-(3-bromophenyl)-5-piperidin-4-yl-1,2-oxazole
CID 115053948
5-piperidin-2-yl-1,2-oxazol-4-amine
CID 115093519
3-[(3-fluorophenyl)methyl]-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900480

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-5-pyrrolidin-2-yl-1,2-oxazole?
The IUPAC name of 4-(3-fluorophenyl)-5-pyrrolidin-2-yl-1,2-oxazole (CID 115038784) is 4-(3-fluorophenyl)-5-pyrrolidin-2-yl-1,2-oxazole.
What is the SMILES notation for 4-(3-fluorophenyl)-5-pyrrolidin-2-yl-1,2-oxazole?
The canonical SMILES for 4-(3-fluorophenyl)-5-pyrrolidin-2-yl-1,2-oxazole is Fc1cccc(-c2cnoc2C2CCCN2)c1.
What is the InChIKey of 4-(3-fluorophenyl)-5-pyrrolidin-2-yl-1,2-oxazole?
The InChIKey is SVURAPGHEFPCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c14-10-4-1-3-9(7-10)11-8-16-17-13(11)12-5-2-6-15-12/h1,3-4,7-8,12,15H,2,5-6H2.
What are the key properties of 4-(3-fluorophenyl)-5-pyrrolidin-2-yl-1,2-oxazole?
4-(3-fluorophenyl)-5-pyrrolidin-2-yl-1,2-oxazole has a molecular weight of 232.26 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-5-pyrrolidin-2-yl-1,2-oxazole is sourced from PubChem (CID 115038784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).