2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propan-1-amine;N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propyl]-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

C42H38F2N10O7 — CID 157061987

About 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propan-1-amine;N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propyl]-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-(4-fluorophenyl)-1,3-oxazol-4-yl]propan-1-amine;N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propyl]-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 157061987) has the molecular formula C42H38F2N10O7 and a molecular weight of 832.83 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propan-1-amine;N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propyl]-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-(4-fluorophenyl)-1,3-oxazol-4-yl]propan-1-amine;N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propyl]-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: 157061987
• Molecular Formula: C42H38F2N10O7
• Molecular Weight: 832.83 g/mol
• Exact Mass: 832.29
• IUPAC Name: 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propan-1-amine;N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propyl]-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: CC(CN)c1coc(-c2ccc(F)cc2)n1.Cc1nc(-c2cncc(C(=O)NCC(C)c3coc(-c4ccc(F)cc4)n3)c2)no1.Cc1nc(-c2cncc(C(=O)O)c2)no1
• InChI: InChI=1S/C21H18FN5O3.C12H13FN2O.C9H7N3O3/c1-12(18-11-29-21(26-18)14-3-5-17(22)6-4-14)8-24-20(28)16-7-15(9-23-10-16)19-25-13(2)30-27-19;1-8(6-14)11-7-16-12(15-11)9-2-4-10(13)5-3-9;1-5-11-8(12-15-5)6-2-7(9(13)14)4-10-3-6/h3-7,9-12H,8H2,1-2H3,(H,24,28);2-5,7-8H,6,14H2,1H3;2-4H,1H3,(H,13,14)
• InChIKey: ABKZSXVFSHNTCM-UHFFFAOYSA-N
• XLogP: 7.45
• TPSA: 248.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	832.83
LogP ≤ 5	7.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propan-1-amine;N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propyl]-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-(4-fluorophenyl)-1,3-oxazol-4-yl]propan-1-amine;N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propyl]-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 157061987) is 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propan-1-amine;N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propyl]-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-(4-fluorophenyl)-1,3-oxazol-4-yl]propan-1-amine;N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propyl]-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-(4-fluorophenyl)-1,3-oxazol-4-yl]propan-1-amine;N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propyl]-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 CC(CN)c1coc(-c2ccc(F)cc2)n1.Cc1nc(-c2cncc(C(=O)NCC(C)c3coc(-c4ccc(F)cc4)n3)c2)no1.Cc1nc(-c2cncc(C(=O)O)c2)no1.

What is the InChIKey of 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propan-1-amine;N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propyl]-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 ABKZSXVFSHNTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O3.C12H13FN2O.C9H7N3O3/c1-12(18-11-29-21(26-18)14-3-5-17(22)6-4-14)8-24-20(28)16-7-15(9-23-10-16)19-25-13(2)30-27-19;1-8(6-14)11-7-16-12(15-11)9-2-4-10(13)5-3-9;1-5-11-8(12-15-5)6-2-7(9(13)14)4-10-3-6/h3-7,9-12H,8H2,1-2H3,(H,24,28);2-5,7-8H,6,14H2,1H3;2-4H,1H3,(H,13,14).

What are the key properties of 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propan-1-amine;N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propyl]-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-(4-fluorophenyl)-1,3-oxazol-4-yl]propan-1-amine;N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propyl]-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 832.83 g/mol, XLogP of 7.45, 11 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propan-1-amine;N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]propyl]-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 157061987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).