N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-hydroxy-N-[[4-(5-methyl-1,3-oxazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-(trifluoromethyl)cyclobutane-1-carboxamide

C30H33F3N4O4 — CID 155063877

About N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-hydroxy-N-[[4-(5-methyl-1,3-oxazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-(trifluoromethyl)cyclobutane-1-carboxamide

N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-hydroxy-N-[[4-(5-methyl-1,3-oxazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-(trifluoromethyl)cyclobutane-1-carboxamide (PubChem CID 155063877) has the molecular formula C30H33F3N4O4 and a molecular weight of 570.61 g/mol. Its IUPAC name is N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-hydroxy-N-[[4-(5-methyl-1,3-oxazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-(trifluoromethyl)cyclobutane-1-carboxamide.

Molecular Properties

• Compound Name: N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-hydroxy-N-[[4-(5-methyl-1,3-oxazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-(trifluoromethyl)cyclobutane-1-carboxamide
• PubChem CID: 155063877
• Molecular Formula: C30H33F3N4O4
• Molecular Weight: 570.61 g/mol
• Exact Mass: 570.25
• IUPAC Name: N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-hydroxy-N-[[4-(5-methyl-1,3-oxazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-(trifluoromethyl)cyclobutane-1-carboxamide
• SMILES: Cc1cnc(C23CCC(CN(C(=O)C4CC(O)(C(F)(F)F)C4)c4cccc(-c5nc(C6CC6)no5)c4)(CC2)CC3)o1
• InChI: InChI=1S/C30H33F3N4O4/c1-18-16-34-26(40-18)28-10-7-27(8-11-28,9-12-28)17-37(25(38)21-14-29(39,15-21)30(31,32)33)22-4-2-3-20(13-22)24-35-23(36-41-24)19-5-6-19/h2-4,13,16,19,21,39H,5-12,14-15,17H2,1H3
• InChIKey: GWDORKMZQFPRTR-UHFFFAOYSA-N
• XLogP: 6.24
• TPSA: 105.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.61
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-hydroxy-N-[[4-(5-methyl-1,3-oxazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-(trifluoromethyl)cyclobutane-1-carboxamide?

The IUPAC name of N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-hydroxy-N-[[4-(5-methyl-1,3-oxazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-(trifluoromethyl)cyclobutane-1-carboxamide (CID 155063877) is N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-hydroxy-N-[[4-(5-methyl-1,3-oxazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-(trifluoromethyl)cyclobutane-1-carboxamide.

What is the SMILES notation for N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-hydroxy-N-[[4-(5-methyl-1,3-oxazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-(trifluoromethyl)cyclobutane-1-carboxamide?

The canonical SMILES for N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-hydroxy-N-[[4-(5-methyl-1,3-oxazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-(trifluoromethyl)cyclobutane-1-carboxamide is Cc1cnc(C23CCC(CN(C(=O)C4CC(O)(C(F)(F)F)C4)c4cccc(-c5nc(C6CC6)no5)c4)(CC2)CC3)o1.

What is the InChIKey of N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-hydroxy-N-[[4-(5-methyl-1,3-oxazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-(trifluoromethyl)cyclobutane-1-carboxamide?

The InChIKey is GWDORKMZQFPRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F3N4O4/c1-18-16-34-26(40-18)28-10-7-27(8-11-28,9-12-28)17-37(25(38)21-14-29(39,15-21)30(31,32)33)22-4-2-3-20(13-22)24-35-23(36-41-24)19-5-6-19/h2-4,13,16,19,21,39H,5-12,14-15,17H2,1H3.

What are the key properties of N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-hydroxy-N-[[4-(5-methyl-1,3-oxazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-(trifluoromethyl)cyclobutane-1-carboxamide?

N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-hydroxy-N-[[4-(5-methyl-1,3-oxazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-(trifluoromethyl)cyclobutane-1-carboxamide has a molecular weight of 570.61 g/mol, XLogP of 6.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-hydroxy-N-[[4-(5-methyl-1,3-oxazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-(trifluoromethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 155063877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).