5-[(2S)-1-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide

C17H21N3O3S — CID 95136573

About 5-[(2S)-1-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide

5-[(2S)-1-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide (PubChem CID 95136573) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 5-[(2S)-1-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(2S)-1-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide
• PubChem CID: 95136573
• Molecular Formula: C17H21N3O3S
• Molecular Weight: 347.44 g/mol
• Exact Mass: 347.13
• IUPAC Name: 5-[(2S)-1-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide
• SMILES: CC(C)Cc1cc(C(=O)N2CCC[C@H]2c2ccc(C(N)=O)s2)no1
• InChI: InChI=1S/C17H21N3O3S/c1-10(2)8-11-9-12(19-23-11)17(22)20-7-3-4-13(20)14-5-6-15(24-14)16(18)21/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H2,18,21)/t13-/m0/s1
• InChIKey: MZXGNWQAYNJKDM-ZDUSSCGKSA-N
• XLogP: 3.01
• TPSA: 89.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.44
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide?

The IUPAC name of 5-[(2S)-1-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide (CID 95136573) is 5-[(2S)-1-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for 5-[(2S)-1-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide?

The canonical SMILES for 5-[(2S)-1-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide is CC(C)Cc1cc(C(=O)N2CCC[C@H]2c2ccc(C(N)=O)s2)no1.

What is the InChIKey of 5-[(2S)-1-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide?

The InChIKey is MZXGNWQAYNJKDM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-10(2)8-11-9-12(19-23-11)17(22)20-7-3-4-13(20)14-5-6-15(24-14)16(18)21/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H2,18,21)/t13-/m0/s1.

What are the key properties of 5-[(2S)-1-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide?

5-[(2S)-1-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2S)-1-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 95136573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).