(2S)-1-[2-(dimethylamino)pyridine-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide

C17H21N5O3 — CID 110304968

About (2S)-1-[2-(dimethylamino)pyridine-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide

(2S)-1-[2-(dimethylamino)pyridine-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide (PubChem CID 110304968) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is (2S)-1-[2-(dimethylamino)pyridine-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-1-[2-(dimethylamino)pyridine-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
• PubChem CID: 110304968
• Molecular Formula: C17H21N5O3
• Molecular Weight: 343.39 g/mol
• Exact Mass: 343.16
• IUPAC Name: (2S)-1-[2-(dimethylamino)pyridine-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
• SMILES: Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2cccnc2N(C)C)no1
• InChI: InChI=1S/C17H21N5O3/c1-11-10-14(20-25-11)19-16(23)13-7-5-9-22(13)17(24)12-6-4-8-18-15(12)21(2)3/h4,6,8,10,13H,5,7,9H2,1-3H3,(H,19,20,23)/t13-/m0/s1
• InChIKey: UCLROUARNUFORT-ZDUSSCGKSA-N
• XLogP: 1.69
• TPSA: 91.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.39
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(dimethylamino)pyridine-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide?

The IUPAC name of (2S)-1-[2-(dimethylamino)pyridine-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide (CID 110304968) is (2S)-1-[2-(dimethylamino)pyridine-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide.

What is the SMILES notation for (2S)-1-[2-(dimethylamino)pyridine-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide?

The canonical SMILES for (2S)-1-[2-(dimethylamino)pyridine-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide is Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2cccnc2N(C)C)no1.

What is the InChIKey of (2S)-1-[2-(dimethylamino)pyridine-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide?

The InChIKey is UCLROUARNUFORT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-11-10-14(20-25-11)19-16(23)13-7-5-9-22(13)17(24)12-6-4-8-18-15(12)21(2)3/h4,6,8,10,13H,5,7,9H2,1-3H3,(H,19,20,23)/t13-/m0/s1.

What are the key properties of (2S)-1-[2-(dimethylamino)pyridine-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide?

(2S)-1-[2-(dimethylamino)pyridine-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[2-(dimethylamino)pyridine-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110304968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).