(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide

C14H12ClN5O5S2 — CID 42477494

About (2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide

(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide (PubChem CID 42477494) has the molecular formula C14H12ClN5O5S2 and a molecular weight of 429.87 g/mol. Its IUPAC name is (2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
• PubChem CID: 42477494
• Molecular Formula: C14H12ClN5O5S2
• Molecular Weight: 429.87 g/mol
• Exact Mass: 429.00
• IUPAC Name: (2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
• SMILES: O=C(Nc1nnc(-c2ccno2)o1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1
• InChI: InChI=1S/C14H12ClN5O5S2/c15-10-3-4-11(26-10)27(22,23)20-7-1-2-8(20)12(21)17-14-19-18-13(24-14)9-5-6-16-25-9/h3-6,8H,1-2,7H2,(H,17,19,21)/t8-/m1/s1
• InChIKey: YEDUNOMQRYQIDY-MRVPVSSYSA-N
• XLogP: 2.23
• TPSA: 131.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.87
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide?

The IUPAC name of (2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide (CID 42477494) is (2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide.

What is the SMILES notation for (2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide?

The canonical SMILES for (2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide is O=C(Nc1nnc(-c2ccno2)o1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1.

What is the InChIKey of (2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide?

The InChIKey is YEDUNOMQRYQIDY-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H12ClN5O5S2/c15-10-3-4-11(26-10)27(22,23)20-7-1-2-8(20)12(21)17-14-19-18-13(24-14)9-5-6-16-25-9/h3-6,8H,1-2,7H2,(H,17,19,21)/t8-/m1/s1.

What are the key properties of (2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide?

(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 429.87 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 42477494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).