N-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[5-(difluoromethoxy)-2-pyridinyl]phenyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide

C34H39F3N4O3 — CID 171473978

IUPACN-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[5-(difluoromethoxy)-2-pyridinyl]phenyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide
SMILESCC(C)(C)c1nc(C23CCC(CN(C(=O)CC45CC(F)(C4)C5)c4cccc(-c5ccc(OC(F)F)cn5)c4)(CC2)CC3)no1
InChIInChI=1S/C34H39F3N4O3/c1-30(2,3)28-39-27(40-44-28)33-12-9-31(10-13-33,11-14-33)21-41(26(42)16-32-18-34(37,19-32)20-32)23-6-4-5-22(15-23)25-8-7-24(17-38-25)43-29(35)36/h4-8,15,17,29H,9-14,16,18-21H2,1-3H3
InChIKeyLHPNZCYWYFBMIM-UHFFFAOYSA-N
MW608.71 g/mol
LogP7.94
Rot. Bonds9

About N-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[5-(difluoromethoxy)-2-pyridinyl]phenyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide

N-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[5-(difluoromethoxy)-2-pyridinyl]phenyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide (PubChem CID 171473978) has the molecular formula C34H39F3N4O3 and a molecular weight of 608.71 g/mol. Its IUPAC name is N-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[5-(difluoromethoxy)-2-pyridinyl]phenyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide.

Molecular Properties

Compound NameN-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[5-(difluoromethoxy)-2-pyridinyl]phenyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide
PubChem CID171473978
Molecular FormulaC34H39F3N4O3
Molecular Weight608.71 g/mol
Exact Mass608.30
IUPAC NameN-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[5-(difluoromethoxy)-2-pyridinyl]phenyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide
SMILESCC(C)(C)c1nc(C23CCC(CN(C(=O)CC45CC(F)(C4)C5)c4cccc(-c5ccc(OC(F)F)cn5)c4)(CC2)CC3)no1
InChIInChI=1S/C34H39F3N4O3/c1-30(2,3)28-39-27(40-44-28)33-12-9-31(10-13-33,11-14-33)21-41(26(42)16-32-18-34(37,19-32)20-32)23-6-4-5-22(15-23)25-8-7-24(17-38-25)43-29(35)36/h4-8,15,17,29H,9-14,16,18-21H2,1-3H3
InChIKeyLHPNZCYWYFBMIM-UHFFFAOYSA-N
XLogP7.94
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.71
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[5-(difluoromethoxy)-2-pyridinyl]phenyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-(5-methoxypyrimidin-2-yl)phenyl]acetamide
CID 171474351
2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-(1H-pyrazol-4-yl)phenyl]-N-[[4-[5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.2]octanyl]methyl]acetamide
CID 171473909
N-[[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(2-ethoxypyrimidin-5-yl)phenyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide
CID 171474276
N-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(isocyanomethoxy)phenyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 163883187
N-[[4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(4-ethoxyphenyl)phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide
CID 159353051
N-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(2-hydroxy-2-methylpropoxy)phenyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 154684047
N-[[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(2-cyclopropylpyrimidin-5-yl)phenyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide
CID 171474136
N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-fluoro-N-[[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 155060746
N-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[5-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-pyridinyl]acetamide
CID 171474121
N-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[4-(5-ethylpyrimidin-2-yl)-2-pyridinyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide
CID 171474092
N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 171474146
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

Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[5-(difluoromethoxy)-2-pyridinyl]phenyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide?
The IUPAC name of N-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[5-(difluoromethoxy)-2-pyridinyl]phenyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide (CID 171473978) is N-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[5-(difluoromethoxy)-2-pyridinyl]phenyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide.
What is the SMILES notation for N-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[5-(difluoromethoxy)-2-pyridinyl]phenyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide?
The canonical SMILES for N-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[5-(difluoromethoxy)-2-pyridinyl]phenyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide is CC(C)(C)c1nc(C23CCC(CN(C(=O)CC45CC(F)(C4)C5)c4cccc(-c5ccc(OC(F)F)cn5)c4)(CC2)CC3)no1.
What is the InChIKey of N-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[5-(difluoromethoxy)-2-pyridinyl]phenyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide?
The InChIKey is LHPNZCYWYFBMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39F3N4O3/c1-30(2,3)28-39-27(40-44-28)33-12-9-31(10-13-33,11-14-33)21-41(26(42)16-32-18-34(37,19-32)20-32)23-6-4-5-22(15-23)25-8-7-24(17-38-25)43-29(35)36/h4-8,15,17,29H,9-14,16,18-21H2,1-3H3.
What are the key properties of N-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[5-(difluoromethoxy)-2-pyridinyl]phenyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide?
N-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[5-(difluoromethoxy)-2-pyridinyl]phenyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide has a molecular weight of 608.71 g/mol, XLogP of 7.94, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[5-(difluoromethoxy)-2-pyridinyl]phenyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide is sourced from PubChem (CID 171473978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).