N-[4-(3-bicyclo[3.1.1]heptanyloxy)-3,5-difluorophenyl]-5-[[ethyl(methyl)amino]methyl]-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide

C26H34F2N4O4 — CID 170720264

About N-[4-(3-bicyclo[3.1.1]heptanyloxy)-3,5-difluorophenyl]-5-[[ethyl(methyl)amino]methyl]-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide

N-[4-(3-bicyclo[3.1.1]heptanyloxy)-3,5-difluorophenyl]-5-[[ethyl(methyl)amino]methyl]-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide (PubChem CID 170720264) has the molecular formula C26H34F2N4O4 and a molecular weight of 504.58 g/mol. Its IUPAC name is N-[4-(3-bicyclo[3.1.1]heptanyloxy)-3,5-difluorophenyl]-5-[[ethyl(methyl)amino]methyl]-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-(3-bicyclo[3.1.1]heptanyloxy)-3,5-difluorophenyl]-5-[[ethyl(methyl)amino]methyl]-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide
• PubChem CID: 170720264
• Molecular Formula: C26H34F2N4O4
• Molecular Weight: 504.58 g/mol
• Exact Mass: 504.25
• IUPAC Name: N-[4-(3-bicyclo[3.1.1]heptanyloxy)-3,5-difluorophenyl]-5-[[ethyl(methyl)amino]methyl]-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide
• SMILES: CCN(C)Cc1oc(N2CC(C)(OC)C2)nc1C(=O)Nc1cc(F)c(OC2CC3CC(C3)C2)c(F)c1
• InChI: InChI=1S/C26H34F2N4O4/c1-5-31(3)12-21-22(30-25(36-21)32-13-26(2,14-32)34-4)24(33)29-17-10-19(27)23(20(28)11-17)35-18-8-15-6-16(7-15)9-18/h10-11,15-16,18H,5-9,12-14H2,1-4H3,(H,29,33)
• InChIKey: JHUTXEBMFYTZEG-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 80.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.58
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bicyclo[3.1.1]heptanyloxy)-3,5-difluorophenyl]-5-[[ethyl(methyl)amino]methyl]-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide?

The IUPAC name of N-[4-(3-bicyclo[3.1.1]heptanyloxy)-3,5-difluorophenyl]-5-[[ethyl(methyl)amino]methyl]-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide (CID 170720264) is N-[4-(3-bicyclo[3.1.1]heptanyloxy)-3,5-difluorophenyl]-5-[[ethyl(methyl)amino]methyl]-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-[4-(3-bicyclo[3.1.1]heptanyloxy)-3,5-difluorophenyl]-5-[[ethyl(methyl)amino]methyl]-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-[4-(3-bicyclo[3.1.1]heptanyloxy)-3,5-difluorophenyl]-5-[[ethyl(methyl)amino]methyl]-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide is CCN(C)Cc1oc(N2CC(C)(OC)C2)nc1C(=O)Nc1cc(F)c(OC2CC3CC(C3)C2)c(F)c1.

What is the InChIKey of N-[4-(3-bicyclo[3.1.1]heptanyloxy)-3,5-difluorophenyl]-5-[[ethyl(methyl)amino]methyl]-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide?

The InChIKey is JHUTXEBMFYTZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34F2N4O4/c1-5-31(3)12-21-22(30-25(36-21)32-13-26(2,14-32)34-4)24(33)29-17-10-19(27)23(20(28)11-17)35-18-8-15-6-16(7-15)9-18/h10-11,15-16,18H,5-9,12-14H2,1-4H3,(H,29,33).

What are the key properties of N-[4-(3-bicyclo[3.1.1]heptanyloxy)-3,5-difluorophenyl]-5-[[ethyl(methyl)amino]methyl]-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide?

N-[4-(3-bicyclo[3.1.1]heptanyloxy)-3,5-difluorophenyl]-5-[[ethyl(methyl)amino]methyl]-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 504.58 g/mol, XLogP of 4.45, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-bicyclo[3.1.1]heptanyloxy)-3,5-difluorophenyl]-5-[[ethyl(methyl)amino]methyl]-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 170720264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).