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

C22H18FN3O3 — CID 30041475

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

N-cyclopropyl-N-[(2-fluorophenyl)methyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 30041475) has the molecular formula C22H18FN3O3 and a molecular weight of 391.40 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-N-[(2-fluorophenyl)methyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 30041475
• Molecular Formula: C22H18FN3O3
• Molecular Weight: 391.40 g/mol
• Exact Mass: 391.13
• IUPAC Name: N-cyclopropyl-N-[(2-fluorophenyl)methyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1noc2nc(-c3ccco3)cc(C(=O)N(Cc3ccccc3F)C3CC3)c12
• InChI: InChI=1S/C22H18FN3O3/c1-13-20-16(11-18(19-7-4-10-28-19)24-21(20)29-25-13)22(27)26(15-8-9-15)12-14-5-2-3-6-17(14)23/h2-7,10-11,15H,8-9,12H2,1H3
• InChIKey: KMKQPPSZWGAWGL-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 72.37 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.40
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 30041475) is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(-c3ccco3)cc(C(=O)N(Cc3ccccc3F)C3CC3)c12.

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

The InChIKey is KMKQPPSZWGAWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O3/c1-13-20-16(11-18(19-7-4-10-28-19)24-21(20)29-25-13)22(27)26(15-8-9-15)12-14-5-2-3-6-17(14)23/h2-7,10-11,15H,8-9,12H2,1H3.

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

N-cyclopropyl-N-[(2-fluorophenyl)methyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 391.40 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 30041475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).