5-[(1R)-1-(4-chlorophenyl)sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole

C15H12ClN3OS — CID 25421917

IUPAC5-[(1R)-1-(4-chlorophenyl)sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESC[C@@H](Sc1ccc(Cl)cc1)c1nc(-c2cccnc2)no1
InChIInChI=1S/C15H12ClN3OS/c1-10(21-13-6-4-12(16)5-7-13)15-18-14(19-20-15)11-3-2-8-17-9-11/h2-10H,1H3/t10-/m1/s1
InChIKeyFFDMESUGDAORRT-SNVBAGLBSA-N
MW317.80 g/mol
LogP4.64
Rot. Bonds4

About 5-[(1R)-1-(4-chlorophenyl)sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole

5-[(1R)-1-(4-chlorophenyl)sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 25421917) has the molecular formula C15H12ClN3OS and a molecular weight of 317.80 g/mol. Its IUPAC name is 5-[(1R)-1-(4-chlorophenyl)sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1R)-1-(4-chlorophenyl)sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID25421917
Molecular FormulaC15H12ClN3OS
Molecular Weight317.80 g/mol
Exact Mass317.04
IUPAC Name5-[(1R)-1-(4-chlorophenyl)sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESC[C@@H](Sc1ccc(Cl)cc1)c1nc(-c2cccnc2)no1
InChIInChI=1S/C15H12ClN3OS/c1-10(21-13-6-4-12(16)5-7-13)15-18-14(19-20-15)11-3-2-8-17-9-11/h2-10H,1H3/t10-/m1/s1
InChIKeyFFDMESUGDAORRT-SNVBAGLBSA-N
XLogP4.64
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(1R)-1-(4-chlorophenyl)sulfanylethyl]-3-pyridin-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

Related Compounds

5-[(1R)-1-(4-methylphenyl)sulfanylethyl]-3-phenyl-1,2,4-oxadiazole
CID 2233558
5-[(1R)-1-(4-methylphenyl)sulfanylethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 2233921
N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 62627315
5-[1-(2,4-dichlorophenoxy)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 2912632
(1S,2R)-1-amino-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 29300337
1-[5-[1-(4-chlorophenyl)sulfanylethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120867338
5-[(1R)-1-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 51930936
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 55562582
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2-(2,4-dichlorophenyl)acetate
CID 55547011
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 5-chloro-2-nitrobenzoate
CID 46526124
5-(2,4-dichlorophenyl)-3-pyridin-3-yl-1,2,4-oxadiazole
CID 699599
N-ethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine
CID 63560095

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-(4-chlorophenyl)sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1R)-1-(4-chlorophenyl)sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole (CID 25421917) is 5-[(1R)-1-(4-chlorophenyl)sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1R)-1-(4-chlorophenyl)sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1R)-1-(4-chlorophenyl)sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole is C[C@@H](Sc1ccc(Cl)cc1)c1nc(-c2cccnc2)no1.
What is the InChIKey of 5-[(1R)-1-(4-chlorophenyl)sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is FFDMESUGDAORRT-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H12ClN3OS/c1-10(21-13-6-4-12(16)5-7-13)15-18-14(19-20-15)11-3-2-8-17-9-11/h2-10H,1H3/t10-/m1/s1.
What are the key properties of 5-[(1R)-1-(4-chlorophenyl)sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
5-[(1R)-1-(4-chlorophenyl)sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 317.80 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-(4-chlorophenyl)sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 25421917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).