5-[(2S)-1-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide

C15H19N5O2S — CID 129341141

About 5-[(2S)-1-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide

5-[(2S)-1-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 129341141) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is 5-[(2S)-1-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(2S)-1-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
• PubChem CID: 129341141
• Molecular Formula: C15H19N5O2S
• Molecular Weight: 333.42 g/mol
• Exact Mass: 333.13
• IUPAC Name: 5-[(2S)-1-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
• SMILES: NC(=O)c1noc([C@@H]2CCCN2Cc2cnc(C3CCC3)s2)n1
• InChI: InChI=1S/C15H19N5O2S/c16-12(21)13-18-14(22-19-13)11-5-2-6-20(11)8-10-7-17-15(23-10)9-3-1-4-9/h7,9,11H,1-6,8H2,(H2,16,21)/t11-/m0/s1
• InChIKey: RANRMCYSXMIOQI-NSHDSACASA-N
• XLogP: 2.23
• TPSA: 98.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.42
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?

The IUPAC name of 5-[(2S)-1-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide (CID 129341141) is 5-[(2S)-1-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide.

What is the SMILES notation for 5-[(2S)-1-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?

The canonical SMILES for 5-[(2S)-1-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide is NC(=O)c1noc([C@@H]2CCCN2Cc2cnc(C3CCC3)s2)n1.

What is the InChIKey of 5-[(2S)-1-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?

The InChIKey is RANRMCYSXMIOQI-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N5O2S/c16-12(21)13-18-14(22-19-13)11-5-2-6-20(11)8-10-7-17-15(23-10)9-3-1-4-9/h7,9,11H,1-6,8H2,(H2,16,21)/t11-/m0/s1.

What are the key properties of 5-[(2S)-1-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide?

5-[(2S)-1-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 333.42 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2S)-1-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 129341141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).