N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C24H20FN5O2S — CID 24603690

About N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 24603690) has the molecular formula C24H20FN5O2S and a molecular weight of 461.52 g/mol. Its IUPAC name is N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 24603690
• Molecular Formula: C24H20FN5O2S
• Molecular Weight: 461.52 g/mol
• Exact Mass: 461.13
• IUPAC Name: N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1ccc(-c2cc(C(=O)NC(c3cccc(F)c3)c3nccn3C)c3c(C)noc3n2)s1
• InChI: InChI=1S/C24H20FN5O2S/c1-13-7-8-19(33-13)18-12-17(20-14(2)29-32-24(20)27-18)23(31)28-21(22-26-9-10-30(22)3)15-5-4-6-16(25)11-15/h4-12,21H,1-3H3,(H,28,31)
• InChIKey: CAJSFDYMPSRZOY-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.52
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 24603690) is N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1ccc(-c2cc(C(=O)NC(c3cccc(F)c3)c3nccn3C)c3c(C)noc3n2)s1.

What is the InChIKey of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is CAJSFDYMPSRZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O2S/c1-13-7-8-19(33-13)18-12-17(20-14(2)29-32-24(20)27-18)23(31)28-21(22-26-9-10-30(22)3)15-5-4-6-16(25)11-15/h4-12,21H,1-3H3,(H,28,31).

What are the key properties of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 461.52 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 24603690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).