2-[(2R)-1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole

C16H15ClN4O3S2 — CID 92598859

IUPAC2-[(2R)-1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
SMILESCc1ncsc1-c1nnc([C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)o1
InChIInChI=1S/C16H15ClN4O3S2/c1-10-14(25-9-18-10)16-20-19-15(24-16)13-6-3-7-21(13)26(22,23)12-5-2-4-11(17)8-12/h2,4-5,8-9,13H,3,6-7H2,1H3/t13-/m1/s1
InChIKeyVWMVOMJLARQTHF-CYBMUJFWSA-N
MW410.91 g/mol
LogP3.68
Rot. Bonds4

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

2-[(2R)-1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole (PubChem CID 92598859) has the molecular formula C16H15ClN4O3S2 and a molecular weight of 410.91 g/mol. Its IUPAC name is 2-[(2R)-1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2R)-1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
PubChem CID92598859
Molecular FormulaC16H15ClN4O3S2
Molecular Weight410.91 g/mol
Exact Mass410.03
IUPAC Name2-[(2R)-1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
SMILESCc1ncsc1-c1nnc([C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)o1
InChIInChI=1S/C16H15ClN4O3S2/c1-10-14(25-9-18-10)16-20-19-15(24-16)13-6-3-7-21(13)26(22,23)12-5-2-4-11(17)8-12/h2,4-5,8-9,13H,3,6-7H2,1H3/t13-/m1/s1
InChIKeyVWMVOMJLARQTHF-CYBMUJFWSA-N
XLogP3.68
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(2R)-1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-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

2-(1-cyclohexylsulfonylpyrrolidin-2-yl)-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 110217624
2-[(2S)-1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-isoquinolin-1-yl-1,3,4-oxadiazole
CID 92576763
2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92569582
2-thiophen-2-yl-5-[(2R)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]-1,3,4-oxadiazole
CID 92569579
2-(3-methylphenyl)-1-[2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone
CID 110217599
2-(3-methylphenyl)-1-[(2S)-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone
CID 92560668
5-[(2S)-1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 99799674
2-[(2S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92571600
2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 110217580
2-[(2S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 92559559
2-[(2R)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92571599
2-cyclobutyl-5-[1-(3-methylphenyl)sulfonylpiperidin-2-yl]-1,3,4-oxadiazole
CID 136542510

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(2R)-1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole (CID 92598859) is 2-[(2R)-1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2R)-1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2R)-1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole is Cc1ncsc1-c1nnc([C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)o1.
What is the InChIKey of 2-[(2R)-1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The InChIKey is VWMVOMJLARQTHF-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H15ClN4O3S2/c1-10-14(25-9-18-10)16-20-19-15(24-16)13-6-3-7-21(13)26(22,23)12-5-2-4-11(17)8-12/h2,4-5,8-9,13H,3,6-7H2,1H3/t13-/m1/s1.
What are the key properties of 2-[(2R)-1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
2-[(2R)-1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole has a molecular weight of 410.91 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 92598859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).