5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole

C14H17ClN2O3S2 — CID 46366393

IUPAC5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
SMILESCC(C)c1cc(C2CCCN2S(=O)(=O)c2ccc(Cl)s2)on1
InChIInChI=1S/C14H17ClN2O3S2/c1-9(2)10-8-12(20-16-10)11-4-3-7-17(11)22(18,19)14-6-5-13(15)21-14/h5-6,8-9,11H,3-4,7H2,1-2H3
InChIKeyLXXVFMRPBVWAOC-UHFFFAOYSA-N
MW360.89 g/mol
LogP4.04
Rot. Bonds4

About 5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole

5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole (PubChem CID 46366393) has the molecular formula C14H17ClN2O3S2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
PubChem CID46366393
Molecular FormulaC14H17ClN2O3S2
Molecular Weight360.89 g/mol
Exact Mass360.04
IUPAC Name5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
SMILESCC(C)c1cc(C2CCCN2S(=O)(=O)c2ccc(Cl)s2)on1
InChIInChI=1S/C14H17ClN2O3S2/c1-9(2)10-8-12(20-16-10)11-4-3-7-17(11)22(18,19)14-6-5-13(15)21-14/h5-6,8-9,11H,3-4,7H2,1-2H3
InChIKeyLXXVFMRPBVWAOC-UHFFFAOYSA-N
XLogP4.04
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2R)-1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 92877887
5-[(2S)-1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 92877902
3-propan-2-yl-5-[(2R)-1-(2,4,5-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 92877907
N-[4-[(2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 92894125
5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-cyclopropyl-1,2,4-oxadiazole
CID 90564742
5-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 61044817
2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 47387683
1-(5-chlorothiophen-2-yl)sulfonyl-2-(3-methylphenyl)pyrrolidine
CID 50746966
1-(5-chlorothiophen-2-yl)sulfonyl-2-methylpyrrolidine
CID 110728237
2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 110873160
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-2-thiophen-2-ylpyrrolidine
CID 51550798
3-ethyl-5-[(2S)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 92894173

Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole?
The IUPAC name of 5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole (CID 46366393) is 5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole?
The canonical SMILES for 5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole is CC(C)c1cc(C2CCCN2S(=O)(=O)c2ccc(Cl)s2)on1.
What is the InChIKey of 5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole?
The InChIKey is LXXVFMRPBVWAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3S2/c1-9(2)10-8-12(20-16-10)11-4-3-7-17(11)22(18,19)14-6-5-13(15)21-14/h5-6,8-9,11H,3-4,7H2,1-2H3.
What are the key properties of 5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole?
5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole has a molecular weight of 360.89 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 46366393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).