N-[(1S)-1-[4-cyano-2-(4-fluorophenyl)-1,3-oxazol-5-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1,3-thiazole-2-carboxamide

C24H20FN5O4S — CID 155925146

About N-[(1S)-1-[4-cyano-2-(4-fluorophenyl)-1,3-oxazol-5-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1,3-thiazole-2-carboxamide

N-[(1S)-1-[4-cyano-2-(4-fluorophenyl)-1,3-oxazol-5-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1,3-thiazole-2-carboxamide (PubChem CID 155925146) has the molecular formula C24H20FN5O4S and a molecular weight of 493.52 g/mol. Its IUPAC name is N-[(1S)-1-[4-cyano-2-(4-fluorophenyl)-1,3-oxazol-5-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-[4-cyano-2-(4-fluorophenyl)-1,3-oxazol-5-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1,3-thiazole-2-carboxamide
• PubChem CID: 155925146
• Molecular Formula: C24H20FN5O4S
• Molecular Weight: 493.52 g/mol
• Exact Mass: 493.12
• IUPAC Name: N-[(1S)-1-[4-cyano-2-(4-fluorophenyl)-1,3-oxazol-5-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1,3-thiazole-2-carboxamide
• SMILES: N#Cc1nc(-c2ccc(F)cc2)oc1[C@H](CCCCCC(=O)c1ncco1)NC(=O)c1nccs1
• InChI: InChI=1S/C24H20FN5O4S/c25-16-8-6-15(7-9-16)22-30-18(14-26)20(34-22)17(29-21(32)24-28-11-13-35-24)4-2-1-3-5-19(31)23-27-10-12-33-23/h6-13,17H,1-5H2,(H,29,32)/t17-/m0/s1
• InChIKey: GINDUWKTOMSJFE-KRWDZBQOSA-N
• XLogP: 5.10
• TPSA: 134.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.52
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-cyano-2-(4-fluorophenyl)-1,3-oxazol-5-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1,3-thiazole-2-carboxamide?

The IUPAC name of N-[(1S)-1-[4-cyano-2-(4-fluorophenyl)-1,3-oxazol-5-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1,3-thiazole-2-carboxamide (CID 155925146) is N-[(1S)-1-[4-cyano-2-(4-fluorophenyl)-1,3-oxazol-5-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1,3-thiazole-2-carboxamide.

What is the SMILES notation for N-[(1S)-1-[4-cyano-2-(4-fluorophenyl)-1,3-oxazol-5-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1,3-thiazole-2-carboxamide?

The canonical SMILES for N-[(1S)-1-[4-cyano-2-(4-fluorophenyl)-1,3-oxazol-5-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1,3-thiazole-2-carboxamide is N#Cc1nc(-c2ccc(F)cc2)oc1[C@H](CCCCCC(=O)c1ncco1)NC(=O)c1nccs1.

What is the InChIKey of N-[(1S)-1-[4-cyano-2-(4-fluorophenyl)-1,3-oxazol-5-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1,3-thiazole-2-carboxamide?

The InChIKey is GINDUWKTOMSJFE-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H20FN5O4S/c25-16-8-6-15(7-9-16)22-30-18(14-26)20(34-22)17(29-21(32)24-28-11-13-35-24)4-2-1-3-5-19(31)23-27-10-12-33-23/h6-13,17H,1-5H2,(H,29,32)/t17-/m0/s1.

What are the key properties of N-[(1S)-1-[4-cyano-2-(4-fluorophenyl)-1,3-oxazol-5-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1,3-thiazole-2-carboxamide?

N-[(1S)-1-[4-cyano-2-(4-fluorophenyl)-1,3-oxazol-5-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1,3-thiazole-2-carboxamide has a molecular weight of 493.52 g/mol, XLogP of 5.10, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-[4-cyano-2-(4-fluorophenyl)-1,3-oxazol-5-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 155925146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).