5-(1-cyclopropylpyrrolidin-2-yl)-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole

C16H18FN3O — CID 166210121

IUPAC5-(1-cyclopropylpyrrolidin-2-yl)-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(C3CCCN3C3CC3)n2)cc1F
InChIInChI=1S/C16H18FN3O/c1-10-4-5-11(9-13(10)17)15-18-16(21-19-15)14-3-2-8-20(14)12-6-7-12/h4-5,9,12,14H,2-3,6-8H2,1H3
InChIKeyIBYNKCCSKOMRES-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.48
Rot. Bonds3

About 5-(1-cyclopropylpyrrolidin-2-yl)-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole

5-(1-cyclopropylpyrrolidin-2-yl)-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 166210121) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 5-(1-cyclopropylpyrrolidin-2-yl)-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-cyclopropylpyrrolidin-2-yl)-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
PubChem CID166210121
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name5-(1-cyclopropylpyrrolidin-2-yl)-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(C3CCCN3C3CC3)n2)cc1F
InChIInChI=1S/C16H18FN3O/c1-10-4-5-11(9-13(10)17)15-18-16(21-19-15)14-3-2-8-20(14)12-6-7-12/h4-5,9,12,14H,2-3,6-8H2,1H3
InChIKeyIBYNKCCSKOMRES-UHFFFAOYSA-N
XLogP3.48
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(1-cyclopropylpyrrolidin-2-yl)-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole 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

3-(4-chlorophenyl)-5-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 95116737
(3R,5S)-1-(cyclohexylmethyl)-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 26743772
5-[5-[(2R)-1-cyclobutylpyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine
CID 162799203
1-[(4-chlorophenyl)methyl]-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 74506710
1-benzyl-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 74506708
5-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 99611541
3-(3-fluoro-4-methylphenyl)-5-[(1R)-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 51964703
3-(3-fluoro-4-methylphenyl)-5-[(1R)-1-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 124813130
3-(3-fluoro-4-methylphenyl)-5-[(1S)-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 51964705
5-[5-(1-cyclohexylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine
CID 75131458
(3R)-1-[(1R)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-3-ol
CID 98762941
1-[4-[2-[3-[2-(4-acetylpiperazin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 75614802

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropylpyrrolidin-2-yl)-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1-cyclopropylpyrrolidin-2-yl)-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole (CID 166210121) is 5-(1-cyclopropylpyrrolidin-2-yl)-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-cyclopropylpyrrolidin-2-yl)-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-cyclopropylpyrrolidin-2-yl)-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole is Cc1ccc(-c2noc(C3CCCN3C3CC3)n2)cc1F.
What is the InChIKey of 5-(1-cyclopropylpyrrolidin-2-yl)-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is IBYNKCCSKOMRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-10-4-5-11(9-13(10)17)15-18-16(21-19-15)14-3-2-8-20(14)12-6-7-12/h4-5,9,12,14H,2-3,6-8H2,1H3.
What are the key properties of 5-(1-cyclopropylpyrrolidin-2-yl)-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole?
5-(1-cyclopropylpyrrolidin-2-yl)-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 287.34 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropylpyrrolidin-2-yl)-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 166210121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).