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

C31H36F2N4O3 — CID 155060727

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

N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3,3-difluoro-N-[3-(2-propyl-1,3-oxazol-5-yl)phenyl]cyclobutane-1-carboxamide (PubChem CID 155060727) has the molecular formula C31H36F2N4O3 and a molecular weight of 550.65 g/mol. Its IUPAC name is N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3,3-difluoro-N-[3-(2-propyl-1,3-oxazol-5-yl)phenyl]cyclobutane-1-carboxamide.

Molecular Properties

• Compound Name: N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3,3-difluoro-N-[3-(2-propyl-1,3-oxazol-5-yl)phenyl]cyclobutane-1-carboxamide
• PubChem CID: 155060727
• Molecular Formula: C31H36F2N4O3
• Molecular Weight: 550.65 g/mol
• Exact Mass: 550.28
• IUPAC Name: N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3,3-difluoro-N-[3-(2-propyl-1,3-oxazol-5-yl)phenyl]cyclobutane-1-carboxamide
• SMILES: CCCc1ncc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C3CC(F)(F)C3)c2)o1
• InChI: InChI=1S/C31H36F2N4O3/c1-2-4-25-34-18-24(39-25)21-5-3-6-23(15-21)37(27(38)22-16-31(32,33)17-22)19-29-9-12-30(13-10-29,14-11-29)28-35-26(36-40-28)20-7-8-20/h3,5-6,15,18,20,22H,2,4,7-14,16-17,19H2,1H3
• InChIKey: FDCVCVVHYRLPQZ-UHFFFAOYSA-N
• XLogP: 7.22
• TPSA: 85.26 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.65
LogP ≤ 5	7.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3,3-difluoro-N-[3-(2-propyl-1,3-oxazol-5-yl)phenyl]cyclobutane-1-carboxamide (CID 155060727) is N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3,3-difluoro-N-[3-(2-propyl-1,3-oxazol-5-yl)phenyl]cyclobutane-1-carboxamide.

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

The canonical SMILES for N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3,3-difluoro-N-[3-(2-propyl-1,3-oxazol-5-yl)phenyl]cyclobutane-1-carboxamide is CCCc1ncc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C3CC(F)(F)C3)c2)o1.

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

The InChIKey is FDCVCVVHYRLPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36F2N4O3/c1-2-4-25-34-18-24(39-25)21-5-3-6-23(15-21)37(27(38)22-16-31(32,33)17-22)19-29-9-12-30(13-10-29,14-11-29)28-35-26(36-40-28)20-7-8-20/h3,5-6,15,18,20,22H,2,4,7-14,16-17,19H2,1H3.

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

N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3,3-difluoro-N-[3-(2-propyl-1,3-oxazol-5-yl)phenyl]cyclobutane-1-carboxamide has a molecular weight of 550.65 g/mol, XLogP of 7.22, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3,3-difluoro-N-[3-(2-propyl-1,3-oxazol-5-yl)phenyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 155060727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).