3-[(4-chlorophenyl)methyl]-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole

C15H18ClN3O — CID 63144516

IUPAC3-[(4-chlorophenyl)methyl]-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCCC1(c2nc(Cc3ccc(Cl)cc3)no2)CCNC1
InChIInChI=1S/C15H18ClN3O/c1-2-15(7-8-17-10-15)14-18-13(19-20-14)9-11-3-5-12(16)6-4-11/h3-6,17H,2,7-10H2,1H3
InChIKeyIMBXFBJIZRJCLD-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.95
Rot. Bonds4

About 3-[(4-chlorophenyl)methyl]-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole

3-[(4-chlorophenyl)methyl]-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole (PubChem CID 63144516) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole
PubChem CID63144516
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name3-[(4-chlorophenyl)methyl]-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCCC1(c2nc(Cc3ccc(Cl)cc3)no2)CCNC1
InChIInChI=1S/C15H18ClN3O/c1-2-15(7-8-17-10-15)14-18-13(19-20-14)9-11-3-5-12(16)6-4-11/h3-6,17H,2,7-10H2,1H3
InChIKeyIMBXFBJIZRJCLD-UHFFFAOYSA-N
XLogP2.95
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(4-chlorophenyl)methyl]-5-(3-ethylpyrrolidin-3-yl)-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

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole (CID 63144516) is 3-[(4-chlorophenyl)methyl]-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole is CCC1(c2nc(Cc3ccc(Cl)cc3)no2)CCNC1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is IMBXFBJIZRJCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-2-15(7-8-17-10-15)14-18-13(19-20-14)9-11-3-5-12(16)6-4-11/h3-6,17H,2,7-10H2,1H3.
What are the key properties of 3-[(4-chlorophenyl)methyl]-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole?
3-[(4-chlorophenyl)methyl]-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 291.78 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 63144516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).