(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide

C19H23N5O2S — CID 97273090

About (2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide

(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide (PubChem CID 97273090) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is (2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: (2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
• PubChem CID: 97273090
• Molecular Formula: C19H23N5O2S
• Molecular Weight: 385.49 g/mol
• Exact Mass: 385.16
• IUPAC Name: (2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
• SMILES: CC(C)c1cc([C@@H]2CCCN2C(=O)Nc2ccnn2Cc2cccs2)no1
• InChI: InChI=1S/C19H23N5O2S/c1-13(2)17-11-15(22-26-17)16-6-3-9-23(16)19(25)21-18-7-8-20-24(18)12-14-5-4-10-27-14/h4-5,7-8,10-11,13,16H,3,6,9,12H2,1-2H3,(H,21,25)/t16-/m0/s1
• InChIKey: AGPCZVKROZQSFG-INIZCTEOSA-N
• XLogP: 4.47
• TPSA: 76.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.49
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide?

The IUPAC name of (2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide (CID 97273090) is (2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide.

What is the SMILES notation for (2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide?

The canonical SMILES for (2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide is CC(C)c1cc([C@@H]2CCCN2C(=O)Nc2ccnn2Cc2cccs2)no1.

What is the InChIKey of (2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide?

The InChIKey is AGPCZVKROZQSFG-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-13(2)17-11-15(22-26-17)16-6-3-9-23(16)19(25)21-18-7-8-20-24(18)12-14-5-4-10-27-14/h4-5,7-8,10-11,13,16H,3,6,9,12H2,1-2H3,(H,21,25)/t16-/m0/s1.

What are the key properties of (2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide?

(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 97273090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).