6-[[5-(difluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide

C22H24F2N4O4 — CID 134604592

About 6-[[5-(difluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide

6-[[5-(difluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide (PubChem CID 134604592) has the molecular formula C22H24F2N4O4 and a molecular weight of 446.45 g/mol. Its IUPAC name is 6-[[5-(difluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[[5-(difluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide
• PubChem CID: 134604592
• Molecular Formula: C22H24F2N4O4
• Molecular Weight: 446.45 g/mol
• Exact Mass: 446.18
• IUPAC Name: 6-[[5-(difluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide
• SMILES: CCC[C@@H](CO)NC(=O)c1ccc(OCc2c(-c3ccc(C)nc3)noc2C(F)F)nc1
• InChI: InChI=1S/C22H24F2N4O4/c1-3-4-16(11-29)27-22(30)15-7-8-18(26-10-15)31-12-17-19(28-32-20(17)21(23)24)14-6-5-13(2)25-9-14/h5-10,16,21,29H,3-4,11-12H2,1-2H3,(H,27,30)/t16-/m0/s1
• InChIKey: XFIUGUYHOJKJFG-INIZCTEOSA-N
• XLogP: 3.85
• TPSA: 110.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.45
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(difluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide?

The IUPAC name of 6-[[5-(difluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide (CID 134604592) is 6-[[5-(difluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide.

What is the SMILES notation for 6-[[5-(difluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide?

The canonical SMILES for 6-[[5-(difluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide is CCC[C@@H](CO)NC(=O)c1ccc(OCc2c(-c3ccc(C)nc3)noc2C(F)F)nc1.

What is the InChIKey of 6-[[5-(difluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide?

The InChIKey is XFIUGUYHOJKJFG-INIZCTEOSA-N. The full InChI is InChI=1S/C22H24F2N4O4/c1-3-4-16(11-29)27-22(30)15-7-8-18(26-10-15)31-12-17-19(28-32-20(17)21(23)24)14-6-5-13(2)25-9-14/h5-10,16,21,29H,3-4,11-12H2,1-2H3,(H,27,30)/t16-/m0/s1.

What are the key properties of 6-[[5-(difluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide?

6-[[5-(difluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide has a molecular weight of 446.45 g/mol, XLogP of 3.85, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[5-(difluoromethyl)-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(2S)-1-hydroxypentan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 134604592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).