(2S)-N-(2-methoxy-3-pyridinyl)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidine-1-carboxamide

C23H26N4O3 — CID 95784221

About (2S)-N-(2-methoxy-3-pyridinyl)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidine-1-carboxamide

(2S)-N-(2-methoxy-3-pyridinyl)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 95784221) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is (2S)-N-(2-methoxy-3-pyridinyl)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: (2S)-N-(2-methoxy-3-pyridinyl)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidine-1-carboxamide
• PubChem CID: 95784221
• Molecular Formula: C23H26N4O3
• Molecular Weight: 406.49 g/mol
• Exact Mass: 406.20
• IUPAC Name: (2S)-N-(2-methoxy-3-pyridinyl)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidine-1-carboxamide
• SMILES: COc1ncccc1NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1
• InChI: InChI=1S/C23H26N4O3/c1-15(2)20-19(16-9-5-4-6-10-16)26-22(30-20)18-12-8-14-27(18)23(28)25-17-11-7-13-24-21(17)29-3/h4-7,9-11,13,15,18H,8,12,14H2,1-3H3,(H,25,28)/t18-/m0/s1
• InChIKey: IDGYOIWIAWUYQP-SFHVURJKSA-N
• XLogP: 5.24
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.49
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxy-3-pyridinyl)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidine-1-carboxamide?

The IUPAC name of (2S)-N-(2-methoxy-3-pyridinyl)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidine-1-carboxamide (CID 95784221) is (2S)-N-(2-methoxy-3-pyridinyl)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidine-1-carboxamide.

What is the SMILES notation for (2S)-N-(2-methoxy-3-pyridinyl)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidine-1-carboxamide?

The canonical SMILES for (2S)-N-(2-methoxy-3-pyridinyl)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidine-1-carboxamide is COc1ncccc1NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1.

What is the InChIKey of (2S)-N-(2-methoxy-3-pyridinyl)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidine-1-carboxamide?

The InChIKey is IDGYOIWIAWUYQP-SFHVURJKSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-15(2)20-19(16-9-5-4-6-10-16)26-22(30-20)18-12-8-14-27(18)23(28)25-17-11-7-13-24-21(17)29-3/h4-7,9-11,13,15,18H,8,12,14H2,1-3H3,(H,25,28)/t18-/m0/s1.

What are the key properties of (2S)-N-(2-methoxy-3-pyridinyl)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidine-1-carboxamide?

(2S)-N-(2-methoxy-3-pyridinyl)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-(2-methoxy-3-pyridinyl)-2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 95784221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).