N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2S,3R)-2-(6-oxo-1H-pyridin-3-yl)oxolan-3-yl]amino]-2-phenylacetamide

C21H22N4O4 — CID 167847077

About N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2S,3R)-2-(6-oxo-1H-pyridin-3-yl)oxolan-3-yl]amino]-2-phenylacetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2S,3R)-2-(6-oxo-1H-pyridin-3-yl)oxolan-3-yl]amino]-2-phenylacetamide (PubChem CID 167847077) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2S,3R)-2-(6-oxo-1H-pyridin-3-yl)oxolan-3-yl]amino]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2S,3R)-2-(6-oxo-1H-pyridin-3-yl)oxolan-3-yl]amino]-2-phenylacetamide
• PubChem CID: 167847077
• Molecular Formula: C21H22N4O4
• Molecular Weight: 394.43 g/mol
• Exact Mass: 394.16
• IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2S,3R)-2-(6-oxo-1H-pyridin-3-yl)oxolan-3-yl]amino]-2-phenylacetamide
• SMILES: Cc1cc(NC(=O)C(N[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c2ccccc2)no1
• InChI: InChI=1S/C21H22N4O4/c1-13-11-17(25-29-13)24-21(27)19(14-5-3-2-4-6-14)23-16-9-10-28-20(16)15-7-8-18(26)22-12-15/h2-8,11-12,16,19-20,23H,9-10H2,1H3,(H,22,26)(H,24,25,27)/t16-,19?,20+/m1/s1
• InChIKey: WZYWLJGNXCBODE-VBHUFULTSA-N
• XLogP: 2.47
• TPSA: 109.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.43
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2S,3R)-2-(6-oxo-1H-pyridin-3-yl)oxolan-3-yl]amino]-2-phenylacetamide?

The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2S,3R)-2-(6-oxo-1H-pyridin-3-yl)oxolan-3-yl]amino]-2-phenylacetamide (CID 167847077) is N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2S,3R)-2-(6-oxo-1H-pyridin-3-yl)oxolan-3-yl]amino]-2-phenylacetamide.

What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2S,3R)-2-(6-oxo-1H-pyridin-3-yl)oxolan-3-yl]amino]-2-phenylacetamide?

The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2S,3R)-2-(6-oxo-1H-pyridin-3-yl)oxolan-3-yl]amino]-2-phenylacetamide is Cc1cc(NC(=O)C(N[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)c2ccccc2)no1.

What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2S,3R)-2-(6-oxo-1H-pyridin-3-yl)oxolan-3-yl]amino]-2-phenylacetamide?

The InChIKey is WZYWLJGNXCBODE-VBHUFULTSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-13-11-17(25-29-13)24-21(27)19(14-5-3-2-4-6-14)23-16-9-10-28-20(16)15-7-8-18(26)22-12-15/h2-8,11-12,16,19-20,23H,9-10H2,1H3,(H,22,26)(H,24,25,27)/t16-,19?,20+/m1/s1.

What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2S,3R)-2-(6-oxo-1H-pyridin-3-yl)oxolan-3-yl]amino]-2-phenylacetamide?

N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2S,3R)-2-(6-oxo-1H-pyridin-3-yl)oxolan-3-yl]amino]-2-phenylacetamide has a molecular weight of 394.43 g/mol, XLogP of 2.47, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2S,3R)-2-(6-oxo-1H-pyridin-3-yl)oxolan-3-yl]amino]-2-phenylacetamide is sourced from PubChem (CID 167847077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).