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

C27H32F3N3O4 — CID 154684098

IUPACN-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-hydroxy-N-(3-methoxyphenyl)-3-(trifluoromethyl)cyclobutane-1-carboxamide
SMILESCOc1cccc(N(CC23CCC(c4nc(C5CC5)no4)(CC2)CC3)C(=O)C2CC(O)(C(F)(F)F)C2)c1
InChIInChI=1S/C27H32F3N3O4/c1-36-20-4-2-3-19(13-20)33(22(34)18-14-26(35,15-18)27(28,29)30)16-24-7-10-25(11-8-24,12-9-24)23-31-21(32-37-23)17-5-6-17/h2-4,13,17-18,35H,5-12,14-16H2,1H3
InChIKeyNVROUDCKLNBSJI-UHFFFAOYSA-N
MW519.56 g/mol
LogP5.28
Rot. Bonds7

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

N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-hydroxy-N-(3-methoxyphenyl)-3-(trifluoromethyl)cyclobutane-1-carboxamide (PubChem CID 154684098) has the molecular formula C27H32F3N3O4 and a molecular weight of 519.56 g/mol. Its IUPAC name is N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-hydroxy-N-(3-methoxyphenyl)-3-(trifluoromethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-hydroxy-N-(3-methoxyphenyl)-3-(trifluoromethyl)cyclobutane-1-carboxamide
PubChem CID154684098
Molecular FormulaC27H32F3N3O4
Molecular Weight519.56 g/mol
Exact Mass519.23
IUPAC NameN-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-hydroxy-N-(3-methoxyphenyl)-3-(trifluoromethyl)cyclobutane-1-carboxamide
SMILESCOc1cccc(N(CC23CCC(c4nc(C5CC5)no4)(CC2)CC3)C(=O)C2CC(O)(C(F)(F)F)C2)c1
InChIInChI=1S/C27H32F3N3O4/c1-36-20-4-2-3-19(13-20)33(22(34)18-14-26(35,15-18)27(28,29)30)16-24-7-10-25(11-8-24,12-9-24)23-31-21(32-37-23)17-5-6-17/h2-4,13,17-18,35H,5-12,14-16H2,1H3
InChIKeyNVROUDCKLNBSJI-UHFFFAOYSA-N
XLogP5.28
TPSA88.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.56
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-hydroxy-N-(3-methoxyphenyl)-3-(trifluoromethyl)cyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-hydroxy-N-(3-methylsulfonylphenyl)-3-(trifluoromethyl)cyclobutane-1-carboxamide
CID 155060912
N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(2-methoxy-1,3-oxazol-5-yl)phenyl]cyclohexanecarboxamide
CID 154683824
N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-4-fluoro-N-[3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]bicyclo[2.1.1]hexane-2-carboxamide
CID 155064174
N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-(3-fluoro-5-isocyanophenyl)-3-hydroxy-3-methylcyclobutane-1-carboxamide
CID 163435284
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-[[4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.2]octanyl]methyl]-3-hydroxy-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)cyclobutane-1-carboxamide
CID 154683275
[3-[cyclopropanecarbonyl-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]amino]phenyl] prop-2-enoate
CID 155060769
N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-(3-isocyanophenyl)bicyclo[1.1.1]pentane-1-carboxamide
CID 161019433
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
N-[3-[4-(4-amino-1,2,5-oxadiazol-3-yl)phenyl]phenyl]-N-[[4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.2]octanyl]methyl]-3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxamide
CID 154683190
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-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[2-[ethoxy(hydroxy)methyl]-1,3-thiazol-4-yl]phenyl]cyclohexanecarboxamide
CID 154683575

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-hydroxy-N-(3-methoxyphenyl)-3-(trifluoromethyl)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-hydroxy-N-(3-methoxyphenyl)-3-(trifluoromethyl)cyclobutane-1-carboxamide (CID 154684098) is N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-hydroxy-N-(3-methoxyphenyl)-3-(trifluoromethyl)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-hydroxy-N-(3-methoxyphenyl)-3-(trifluoromethyl)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-hydroxy-N-(3-methoxyphenyl)-3-(trifluoromethyl)cyclobutane-1-carboxamide is COc1cccc(N(CC23CCC(c4nc(C5CC5)no4)(CC2)CC3)C(=O)C2CC(O)(C(F)(F)F)C2)c1.
What is the InChIKey of N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-hydroxy-N-(3-methoxyphenyl)-3-(trifluoromethyl)cyclobutane-1-carboxamide?
The InChIKey is NVROUDCKLNBSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F3N3O4/c1-36-20-4-2-3-19(13-20)33(22(34)18-14-26(35,15-18)27(28,29)30)16-24-7-10-25(11-8-24,12-9-24)23-31-21(32-37-23)17-5-6-17/h2-4,13,17-18,35H,5-12,14-16H2,1H3.
What are the key properties of N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-hydroxy-N-(3-methoxyphenyl)-3-(trifluoromethyl)cyclobutane-1-carboxamide?
N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-hydroxy-N-(3-methoxyphenyl)-3-(trifluoromethyl)cyclobutane-1-carboxamide has a molecular weight of 519.56 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 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-hydroxy-N-(3-methoxyphenyl)-3-(trifluoromethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 154684098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).