5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propan-1-amine;4-methyl-4-(2-phenyl-1,3-oxazol-4-yl)-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]pentan-1-one

C45H42F3N9O7 — CID 157244251

About 5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propan-1-amine;4-methyl-4-(2-phenyl-1,3-oxazol-4-yl)-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]pentan-1-one

5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propan-1-amine;4-methyl-4-(2-phenyl-1,3-oxazol-4-yl)-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]pentan-1-one (PubChem CID 157244251) has the molecular formula C45H42F3N9O7 and a molecular weight of 877.88 g/mol. Its IUPAC name is 5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propan-1-amine;4-methyl-4-(2-phenyl-1,3-oxazol-4-yl)-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]pentan-1-one.

Molecular Properties

• Compound Name: 5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propan-1-amine;4-methyl-4-(2-phenyl-1,3-oxazol-4-yl)-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]pentan-1-one
• PubChem CID: 157244251
• Molecular Formula: C45H42F3N9O7
• Molecular Weight: 877.88 g/mol
• Exact Mass: 877.32
• IUPAC Name: 5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propan-1-amine;4-methyl-4-(2-phenyl-1,3-oxazol-4-yl)-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]pentan-1-one
• SMILES: CC(C)(CCC(=O)c1cncc(-c2noc(C(F)(F)F)n2)c1)c1coc(-c2ccccc2)n1.CC(C)(CN)c1coc(-c2ccccc2)n1.Cc1nc(-c2cncc(C(=O)O)c2)no1
• InChI: InChI=1S/C23H19F3N4O3.C13H16N2O.C9H7N3O3/c1-22(2,18-13-32-20(28-18)14-6-4-3-5-7-14)9-8-17(31)15-10-16(12-27-11-15)19-29-21(33-30-19)23(24,25)26;1-13(2,9-14)11-8-16-12(15-11)10-6-4-3-5-7-10;1-5-11-8(12-15-5)6-2-7(9(13)14)4-10-3-6/h3-7,10-13H,8-9H2,1-2H3;3-8H,9,14H2,1-2H3;2-4H,1H3,(H,13,14)
• InChIKey: AVOLCKRXPSTPEC-UHFFFAOYSA-N
• XLogP: 9.46
• TPSA: 236.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	877.88
LogP ≤ 5	9.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propan-1-amine;4-methyl-4-(2-phenyl-1,3-oxazol-4-yl)-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]pentan-1-one?

The IUPAC name of 5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propan-1-amine;4-methyl-4-(2-phenyl-1,3-oxazol-4-yl)-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]pentan-1-one (CID 157244251) is 5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propan-1-amine;4-methyl-4-(2-phenyl-1,3-oxazol-4-yl)-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]pentan-1-one.

What is the SMILES notation for 5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propan-1-amine;4-methyl-4-(2-phenyl-1,3-oxazol-4-yl)-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]pentan-1-one?

The canonical SMILES for 5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propan-1-amine;4-methyl-4-(2-phenyl-1,3-oxazol-4-yl)-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]pentan-1-one is CC(C)(CCC(=O)c1cncc(-c2noc(C(F)(F)F)n2)c1)c1coc(-c2ccccc2)n1.CC(C)(CN)c1coc(-c2ccccc2)n1.Cc1nc(-c2cncc(C(=O)O)c2)no1.

What is the InChIKey of 5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propan-1-amine;4-methyl-4-(2-phenyl-1,3-oxazol-4-yl)-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]pentan-1-one?

The InChIKey is AVOLCKRXPSTPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O3.C13H16N2O.C9H7N3O3/c1-22(2,18-13-32-20(28-18)14-6-4-3-5-7-14)9-8-17(31)15-10-16(12-27-11-15)19-29-21(33-30-19)23(24,25)26;1-13(2,9-14)11-8-16-12(15-11)10-6-4-3-5-7-10;1-5-11-8(12-15-5)6-2-7(9(13)14)4-10-3-6/h3-7,10-13H,8-9H2,1-2H3;3-8H,9,14H2,1-2H3;2-4H,1H3,(H,13,14).

What are the key properties of 5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propan-1-amine;4-methyl-4-(2-phenyl-1,3-oxazol-4-yl)-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]pentan-1-one?

5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propan-1-amine;4-methyl-4-(2-phenyl-1,3-oxazol-4-yl)-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]pentan-1-one has a molecular weight of 877.88 g/mol, XLogP of 9.46, 12 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxylic acid;2-methyl-2-(2-phenyl-1,3-oxazol-4-yl)propan-1-amine;4-methyl-4-(2-phenyl-1,3-oxazol-4-yl)-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]pentan-1-one is sourced from PubChem (CID 157244251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).