3-[(3-chlorophenyl)sulfanylmethyl]-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole

C15H18ClN3OS — CID 66147845

IUPAC3-[(3-chlorophenyl)sulfanylmethyl]-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCC1(c2nc(CSc3cccc(Cl)c3)no2)CCNCC1
InChIInChI=1S/C15H18ClN3OS/c1-15(5-7-17-8-6-15)14-18-13(19-20-14)10-21-12-4-2-3-11(16)9-12/h2-4,9,17H,5-8,10H2,1H3
InChIKeyIUVDJLAMAHCLNB-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.66
Rot. Bonds4

About 3-[(3-chlorophenyl)sulfanylmethyl]-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole

3-[(3-chlorophenyl)sulfanylmethyl]-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 66147845) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)sulfanylmethyl]-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3-chlorophenyl)sulfanylmethyl]-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID66147845
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC Name3-[(3-chlorophenyl)sulfanylmethyl]-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCC1(c2nc(CSc3cccc(Cl)c3)no2)CCNCC1
InChIInChI=1S/C15H18ClN3OS/c1-15(5-7-17-8-6-15)14-18-13(19-20-14)10-21-12-4-2-3-11(16)9-12/h2-4,9,17H,5-8,10H2,1H3
InChIKeyIUVDJLAMAHCLNB-UHFFFAOYSA-N
XLogP3.66
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(3-chlorophenyl)sulfanylmethyl]-5-(4-methylpiperidin-4-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

Related Compounds

3-[(3-methylphenyl)sulfanylmethyl]-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole
CID 66111772
3-(ethylsulfanylmethyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 65130645
3-[(4-fluorophenyl)sulfanylmethyl]-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 66071141
5-(3-ethylpyrrolidin-3-yl)-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole
CID 66111381
3-[(3-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-amine
CID 66148676
5-(chloromethyl)-3-[(3-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazole
CID 66147011
1-[3-[(3-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 66147101
3-benzyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63123739
3-[(3-methylphenyl)sulfanylmethyl]-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 104597617
3-[(3-chlorophenyl)sulfanylmethyl]-N-ethyl-1,2,4-oxadiazol-5-amine
CID 66148538
3-[(2-bromophenyl)sulfanylmethyl]-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 66144995
5-(2-methylpyrrolidin-2-yl)-3-(phenylsulfanylmethyl)-1,2,4-oxadiazole
CID 65141902

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)sulfanylmethyl]-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(3-chlorophenyl)sulfanylmethyl]-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole (CID 66147845) is 3-[(3-chlorophenyl)sulfanylmethyl]-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3-chlorophenyl)sulfanylmethyl]-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3-chlorophenyl)sulfanylmethyl]-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole is CC1(c2nc(CSc3cccc(Cl)c3)no2)CCNCC1.
What is the InChIKey of 3-[(3-chlorophenyl)sulfanylmethyl]-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is IUVDJLAMAHCLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS/c1-15(5-7-17-8-6-15)14-18-13(19-20-14)10-21-12-4-2-3-11(16)9-12/h2-4,9,17H,5-8,10H2,1H3.
What are the key properties of 3-[(3-chlorophenyl)sulfanylmethyl]-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
3-[(3-chlorophenyl)sulfanylmethyl]-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 323.85 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)sulfanylmethyl]-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 66147845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).