(2S)-1-[(2R)-3-methyl-2-[3-(2-oxoethoxy)-2,3-dihydro-1,2-oxazol-5-yl]butanoyl]-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]pyrrolidine-2-carboxamide

C28H34N4O5S — CID 156719680

About (2S)-1-[(2R)-3-methyl-2-[3-(2-oxoethoxy)-2,3-dihydro-1,2-oxazol-5-yl]butanoyl]-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]pyrrolidine-2-carboxamide

(2S)-1-[(2R)-3-methyl-2-[3-(2-oxoethoxy)-2,3-dihydro-1,2-oxazol-5-yl]butanoyl]-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]pyrrolidine-2-carboxamide (PubChem CID 156719680) has the molecular formula C28H34N4O5S and a molecular weight of 538.67 g/mol. Its IUPAC name is (2S)-1-[(2R)-3-methyl-2-[3-(2-oxoethoxy)-2,3-dihydro-1,2-oxazol-5-yl]butanoyl]-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-1-[(2R)-3-methyl-2-[3-(2-oxoethoxy)-2,3-dihydro-1,2-oxazol-5-yl]butanoyl]-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]pyrrolidine-2-carboxamide
• PubChem CID: 156719680
• Molecular Formula: C28H34N4O5S
• Molecular Weight: 538.67 g/mol
• Exact Mass: 538.22
• IUPAC Name: (2S)-1-[(2R)-3-methyl-2-[3-(2-oxoethoxy)-2,3-dihydro-1,2-oxazol-5-yl]butanoyl]-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]pyrrolidine-2-carboxamide
• SMILES: Cc1ncsc1-c1ccc(C2(NC(=O)[C@@H]3CCCN3C(=O)[C@@H](C3=CC(OCC=O)NO3)C(C)C)CC2)cc1
• InChI: InChI=1S/C28H34N4O5S/c1-17(2)24(22-15-23(31-37-22)36-14-13-33)27(35)32-12-4-5-21(32)26(34)30-28(10-11-28)20-8-6-19(7-9-20)25-18(3)29-16-38-25/h6-9,13,15-17,21,23-24,31H,4-5,10-12,14H2,1-3H3,(H,30,34)/t21-,23?,24+/m0/s1
• InChIKey: JASPYJJCXZYZBN-FYFGAKMPSA-N
• XLogP: 3.45
• TPSA: 109.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.67
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-3-methyl-2-[3-(2-oxoethoxy)-2,3-dihydro-1,2-oxazol-5-yl]butanoyl]-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]pyrrolidine-2-carboxamide?

The IUPAC name of (2S)-1-[(2R)-3-methyl-2-[3-(2-oxoethoxy)-2,3-dihydro-1,2-oxazol-5-yl]butanoyl]-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]pyrrolidine-2-carboxamide (CID 156719680) is (2S)-1-[(2R)-3-methyl-2-[3-(2-oxoethoxy)-2,3-dihydro-1,2-oxazol-5-yl]butanoyl]-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for (2S)-1-[(2R)-3-methyl-2-[3-(2-oxoethoxy)-2,3-dihydro-1,2-oxazol-5-yl]butanoyl]-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]pyrrolidine-2-carboxamide?

The canonical SMILES for (2S)-1-[(2R)-3-methyl-2-[3-(2-oxoethoxy)-2,3-dihydro-1,2-oxazol-5-yl]butanoyl]-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]pyrrolidine-2-carboxamide is Cc1ncsc1-c1ccc(C2(NC(=O)[C@@H]3CCCN3C(=O)[C@@H](C3=CC(OCC=O)NO3)C(C)C)CC2)cc1.

What is the InChIKey of (2S)-1-[(2R)-3-methyl-2-[3-(2-oxoethoxy)-2,3-dihydro-1,2-oxazol-5-yl]butanoyl]-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]pyrrolidine-2-carboxamide?

The InChIKey is JASPYJJCXZYZBN-FYFGAKMPSA-N. The full InChI is InChI=1S/C28H34N4O5S/c1-17(2)24(22-15-23(31-37-22)36-14-13-33)27(35)32-12-4-5-21(32)26(34)30-28(10-11-28)20-8-6-19(7-9-20)25-18(3)29-16-38-25/h6-9,13,15-17,21,23-24,31H,4-5,10-12,14H2,1-3H3,(H,30,34)/t21-,23?,24+/m0/s1.

What are the key properties of (2S)-1-[(2R)-3-methyl-2-[3-(2-oxoethoxy)-2,3-dihydro-1,2-oxazol-5-yl]butanoyl]-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]pyrrolidine-2-carboxamide?

(2S)-1-[(2R)-3-methyl-2-[3-(2-oxoethoxy)-2,3-dihydro-1,2-oxazol-5-yl]butanoyl]-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]pyrrolidine-2-carboxamide has a molecular weight of 538.67 g/mol, XLogP of 3.45, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[(2R)-3-methyl-2-[3-(2-oxoethoxy)-2,3-dihydro-1,2-oxazol-5-yl]butanoyl]-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]cyclopropyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 156719680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).