5-(2,4-dichlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide

C24H24Cl2N4O4 — CID 93143418

About 5-(2,4-dichlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide

5-(2,4-dichlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide (PubChem CID 93143418) has the molecular formula C24H24Cl2N4O4 and a molecular weight of 503.39 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(2,4-dichlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 93143418
• Molecular Formula: C24H24Cl2N4O4
• Molecular Weight: 503.39 g/mol
• Exact Mass: 502.12
• IUPAC Name: 5-(2,4-dichlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide
• SMILES: O=C(CCN(C[C@H]1CCCO1)C(=O)c1cc(-c2ccc(Cl)cc2Cl)on1)NCc1cccnc1
• InChI: InChI=1S/C24H24Cl2N4O4/c25-17-5-6-19(20(26)11-17)22-12-21(29-34-22)24(32)30(15-18-4-2-10-33-18)9-7-23(31)28-14-16-3-1-8-27-13-16/h1,3,5-6,8,11-13,18H,2,4,7,9-10,14-15H2,(H,28,31)/t18-/m1/s1
• InChIKey: NWQQBAJTUFWOMS-GOSISDBHSA-N
• XLogP: 4.37
• TPSA: 97.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.39
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-(2,4-dichlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide (CID 93143418) is 5-(2,4-dichlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-(2,4-dichlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-(2,4-dichlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide is O=C(CCN(C[C@H]1CCCO1)C(=O)c1cc(-c2ccc(Cl)cc2Cl)on1)NCc1cccnc1.

What is the InChIKey of 5-(2,4-dichlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide?

The InChIKey is NWQQBAJTUFWOMS-GOSISDBHSA-N. The full InChI is InChI=1S/C24H24Cl2N4O4/c25-17-5-6-19(20(26)11-17)22-12-21(29-34-22)24(32)30(15-18-4-2-10-33-18)9-7-23(31)28-14-16-3-1-8-27-13-16/h1,3,5-6,8,11-13,18H,2,4,7,9-10,14-15H2,(H,28,31)/t18-/m1/s1.

What are the key properties of 5-(2,4-dichlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide?

5-(2,4-dichlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide has a molecular weight of 503.39 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,4-dichlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 93143418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).