N-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-2-[3-(difluoromethyl)cyclobutyl]acetamide

C32H37F2N5O3 — CID 171473898

IUPACN-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-2-[3-(difluoromethyl)cyclobutyl]acetamide
SMILESO=C(CC1CC(C(F)F)C1)N(CC12CCC(c3nnc(C4CC4)o3)(CC1)CC2)c1cccc(-c2nc(C3CC3)no2)c1
InChIInChI=1S/C32H37F2N5O3/c33-26(34)23-14-19(15-23)16-25(40)39(24-3-1-2-22(17-24)28-35-27(38-42-28)20-4-5-20)18-31-8-11-32(12-9-31,13-10-31)30-37-36-29(41-30)21-6-7-21/h1-3,17,19-21,23,26H,4-16,18H2
InChIKeyMULJNXDLFLTWNK-UHFFFAOYSA-N
MW577.68 g/mol
LogP7.18
Rot. Bonds10

About N-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-2-[3-(difluoromethyl)cyclobutyl]acetamide

N-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-2-[3-(difluoromethyl)cyclobutyl]acetamide (PubChem CID 171473898) has the molecular formula C32H37F2N5O3 and a molecular weight of 577.68 g/mol. Its IUPAC name is N-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-2-[3-(difluoromethyl)cyclobutyl]acetamide.

Molecular Properties

Compound NameN-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-2-[3-(difluoromethyl)cyclobutyl]acetamide
PubChem CID171473898
Molecular FormulaC32H37F2N5O3
Molecular Weight577.68 g/mol
Exact Mass577.29
IUPAC NameN-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-2-[3-(difluoromethyl)cyclobutyl]acetamide
SMILESO=C(CC1CC(C(F)F)C1)N(CC12CCC(c3nnc(C4CC4)o3)(CC1)CC2)c1cccc(-c2nc(C3CC3)no2)c1
InChIInChI=1S/C32H37F2N5O3/c33-26(34)23-14-19(15-23)16-25(40)39(24-3-1-2-22(17-24)28-35-27(38-42-28)20-4-5-20)18-31-8-11-32(12-9-31,13-10-31)30-37-36-29(41-30)21-6-7-21/h1-3,17,19-21,23,26H,4-16,18H2
InChIKeyMULJNXDLFLTWNK-UHFFFAOYSA-N
XLogP7.18
TPSA98.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.68
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-2-[3-(difluoromethyl)cyclobutyl]acetamide with MolForge

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Related Compounds

N-[[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(oxan-4-yl)acetamide
CID 171473130
N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-(difluoromethyl)-N-[3-[4-(difluoromethyl)-1,3-oxazol-2-yl]phenyl]cyclobutane-1-carboxamide
CID 154683003
N-[[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide
CID 171474166
N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(5-cyclopropyl-1,2-oxazol-3-yl)phenyl]-2-(3,3-difluorocyclopentyl)acetamide
CID 171473922
2-cyclohexyl-N-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 171473199
N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide
CID 171474151
N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3,3-difluorocyclobutyl)-N-[3-[4-(methoxymethyl)-1,3-oxazol-2-yl]phenyl]acetamide
CID 171474208
N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide
CID 171473962
N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3,3-difluorocyclobutyl)-N-[3-(3-ethyl-2-oxo-1,3-oxazol-5-yl)phenyl]acetamide
CID 171474352
N-[[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-4,4-difluorocyclohexane-1-carboxamide
CID 154683657
N-[[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxabicyclo[2.2.2]octan-4-yl]methyl]-N-[3-(5-cyclopropyl-1,2-oxazol-3-yl)phenyl]-3-(difluoromethyl)cyclobutane-1-carboxamide
CID 155060498
N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3,3-difluoro-N-[[4-(5-methyl-1,3-oxazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]cyclopentane-1-carboxamide
CID 155060577

Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-2-[3-(difluoromethyl)cyclobutyl]acetamide?
The IUPAC name of N-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-2-[3-(difluoromethyl)cyclobutyl]acetamide (CID 171473898) is N-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-2-[3-(difluoromethyl)cyclobutyl]acetamide.
What is the SMILES notation for N-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-2-[3-(difluoromethyl)cyclobutyl]acetamide?
The canonical SMILES for N-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-2-[3-(difluoromethyl)cyclobutyl]acetamide is O=C(CC1CC(C(F)F)C1)N(CC12CCC(c3nnc(C4CC4)o3)(CC1)CC2)c1cccc(-c2nc(C3CC3)no2)c1.
What is the InChIKey of N-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-2-[3-(difluoromethyl)cyclobutyl]acetamide?
The InChIKey is MULJNXDLFLTWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37F2N5O3/c33-26(34)23-14-19(15-23)16-25(40)39(24-3-1-2-22(17-24)28-35-27(38-42-28)20-4-5-20)18-31-8-11-32(12-9-31,13-10-31)30-37-36-29(41-30)21-6-7-21/h1-3,17,19-21,23,26H,4-16,18H2.
What are the key properties of N-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-2-[3-(difluoromethyl)cyclobutyl]acetamide?
N-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-2-[3-(difluoromethyl)cyclobutyl]acetamide has a molecular weight of 577.68 g/mol, XLogP of 7.18, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-2-[3-(difluoromethyl)cyclobutyl]acetamide is sourced from PubChem (CID 171473898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).