3-(4-chlorophenyl)-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-3-amine

C21H24ClN3O2 — CID 86889603

IUPAC3-(4-chlorophenyl)-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-3-amine
SMILESCCC(CC)(NCc1nc(-c2ccccc2OC)no1)c1ccc(Cl)cc1
InChIInChI=1S/C21H24ClN3O2/c1-4-21(5-2,15-10-12-16(22)13-11-15)23-14-19-24-20(25-27-19)17-8-6-7-9-18(17)26-3/h6-13,23H,4-5,14H2,1-3H3
InChIKeyKTVOPMNJFMIAKO-UHFFFAOYSA-N
MW385.90 g/mol
LogP5.20
Rot. Bonds8

About 3-(4-chlorophenyl)-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-3-amine

3-(4-chlorophenyl)-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-3-amine (PubChem CID 86889603) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-3-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-3-amine
PubChem CID86889603
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name3-(4-chlorophenyl)-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-3-amine
SMILESCCC(CC)(NCc1nc(-c2ccccc2OC)no1)c1ccc(Cl)cc1
InChIInChI=1S/C21H24ClN3O2/c1-4-21(5-2,15-10-12-16(22)13-11-15)23-14-19-24-20(25-27-19)17-8-6-7-9-18(17)26-3/h6-13,23H,4-5,14H2,1-3H3
InChIKeyKTVOPMNJFMIAKO-UHFFFAOYSA-N
XLogP5.20
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.90
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-chlorophenyl)-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-3-amine 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)-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-3-amine?
The IUPAC name of 3-(4-chlorophenyl)-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-3-amine (CID 86889603) is 3-(4-chlorophenyl)-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-3-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-3-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-3-amine is CCC(CC)(NCc1nc(-c2ccccc2OC)no1)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-3-amine?
The InChIKey is KTVOPMNJFMIAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-4-21(5-2,15-10-12-16(22)13-11-15)23-14-19-24-20(25-27-19)17-8-6-7-9-18(17)26-3/h6-13,23H,4-5,14H2,1-3H3.
What are the key properties of 3-(4-chlorophenyl)-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-3-amine?
3-(4-chlorophenyl)-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-3-amine has a molecular weight of 385.90 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-3-amine is sourced from PubChem (CID 86889603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).