2-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid

C40H34F2N10O7 — CID 158166388

About 2-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid

2-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid (PubChem CID 158166388) has the molecular formula C40H34F2N10O7 and a molecular weight of 804.77 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid
• PubChem CID: 158166388
• Molecular Formula: C40H34F2N10O7
• Molecular Weight: 804.77 g/mol
• Exact Mass: 804.26
• IUPAC Name: 2-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid
• SMILES: Cc1nc(-c2cncc(C(=O)NCCc3coc(-c4cccc(F)c4)n3)c2)no1.Cc1nc(-c2cncc(C(=O)O)c2)no1.NCCc1coc(-c2cccc(F)c2)n1
• InChI: InChI=1S/C20H16FN5O3.C11H11FN2O.C9H7N3O3/c1-12-24-18(26-29-12)14-7-15(10-22-9-14)19(27)23-6-5-17-11-28-20(25-17)13-3-2-4-16(21)8-13;12-9-3-1-2-8(6-9)11-14-10(4-5-13)7-15-11;1-5-11-8(12-15-5)6-2-7(9(13)14)4-10-3-6/h2-4,7-11H,5-6H2,1H3,(H,23,27);1-3,6-7H,4-5,13H2;2-4H,1H3,(H,13,14)
• InChIKey: FWWUTCNSGWLOIN-UHFFFAOYSA-N
• XLogP: 6.33
• TPSA: 248.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	804.77
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid?

The IUPAC name of 2-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid (CID 158166388) is 2-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid.

What is the SMILES notation for 2-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid?

The canonical SMILES for 2-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid is Cc1nc(-c2cncc(C(=O)NCCc3coc(-c4cccc(F)c4)n3)c2)no1.Cc1nc(-c2cncc(C(=O)O)c2)no1.NCCc1coc(-c2cccc(F)c2)n1.

What is the InChIKey of 2-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid?

The InChIKey is FWWUTCNSGWLOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O3.C11H11FN2O.C9H7N3O3/c1-12-24-18(26-29-12)14-7-15(10-22-9-14)19(27)23-6-5-17-11-28-20(25-17)13-3-2-4-16(21)8-13;12-9-3-1-2-8(6-9)11-14-10(4-5-13)7-15-11;1-5-11-8(12-15-5)6-2-7(9(13)14)4-10-3-6/h2-4,7-11H,5-6H2,1H3,(H,23,27);1-3,6-7H,4-5,13H2;2-4H,1H3,(H,13,14).

What are the key properties of 2-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid?

2-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid has a molecular weight of 804.77 g/mol, XLogP of 6.33, 11 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 158166388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).