2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-[4-(methoxymethyl)phenyl]phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]acetamide

C35H42FN3O3 — CID 171474020

IUPAC2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-[4-(methoxymethyl)phenyl]phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]acetamide
SMILESCOCc1ccc(-c2cccc(N(CC34CCC(c5nc(C(C)C)no5)(CC3)CC4)C(=O)CC34CC(F)(C3)C4)c2)cc1
InChIInChI=1S/C35H42FN3O3/c1-24(2)30-37-31(42-38-30)34-14-11-32(12-15-34,13-16-34)23-39(29(40)18-33-20-35(36,21-33)22-33)28-6-4-5-27(17-28)26-9-7-25(8-10-26)19-41-3/h4-10,17,24H,11-16,18-23H2,1-3H3
InChIKeyQIUCRCCTWMGDQJ-UHFFFAOYSA-N
MW571.74 g/mol
LogP7.91
Rot. Bonds10

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

2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-[4-(methoxymethyl)phenyl]phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]acetamide (PubChem CID 171474020) has the molecular formula C35H42FN3O3 and a molecular weight of 571.74 g/mol. Its IUPAC name is 2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-[4-(methoxymethyl)phenyl]phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-[4-(methoxymethyl)phenyl]phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]acetamide
PubChem CID171474020
Molecular FormulaC35H42FN3O3
Molecular Weight571.74 g/mol
Exact Mass571.32
IUPAC Name2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-[4-(methoxymethyl)phenyl]phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]acetamide
SMILESCOCc1ccc(-c2cccc(N(CC34CCC(c5nc(C(C)C)no5)(CC3)CC4)C(=O)CC34CC(F)(C3)C4)c2)cc1
InChIInChI=1S/C35H42FN3O3/c1-24(2)30-37-31(42-38-30)34-14-11-32(12-15-34,13-16-34)23-39(29(40)18-33-20-35(36,21-33)22-33)28-6-4-5-27(17-28)26-9-7-25(8-10-26)19-41-3/h4-10,17,24H,11-16,18-23H2,1-3H3
InChIKeyQIUCRCCTWMGDQJ-UHFFFAOYSA-N
XLogP7.91
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.74
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-(4-methoxyphenyl)phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]acetamide
CID 171474309
N-[3-(2-cyclopropylpyrimidin-5-yl)phenyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]acetamide
CID 171474416
2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-(2-methyl-[1,3]thiazolo[4,5-b]pyridin-6-yl)phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]acetamide
CID 171474291
N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(methanesulfonamido)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-[4-(methoxymethyl)phenyl]phenyl]bicyclo[1.1.1]pentane-1-carboxamide;N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(4-methoxyphenyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide;3-fluoro-N-[3-[4-(methanesulfonamido)phenyl]phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 161207203
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-(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-[4-(methanesulfonamido)phenyl]phenyl]acetamide
CID 171474336
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-[[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]-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]-N-[3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide
CID 171474075
N-[[4-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(2-methylpyrimidin-5-yl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 158534126
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-[4-(methoxymethyl)phenyl]phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]acetamide?
The IUPAC name of 2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-[4-(methoxymethyl)phenyl]phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]acetamide (CID 171474020) is 2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-[4-(methoxymethyl)phenyl]phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]acetamide.
What is the SMILES notation for 2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-[4-(methoxymethyl)phenyl]phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]acetamide?
The canonical SMILES for 2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-[4-(methoxymethyl)phenyl]phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]acetamide is COCc1ccc(-c2cccc(N(CC34CCC(c5nc(C(C)C)no5)(CC3)CC4)C(=O)CC34CC(F)(C3)C4)c2)cc1.
What is the InChIKey of 2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-[4-(methoxymethyl)phenyl]phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]acetamide?
The InChIKey is QIUCRCCTWMGDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42FN3O3/c1-24(2)30-37-31(42-38-30)34-14-11-32(12-15-34,13-16-34)23-39(29(40)18-33-20-35(36,21-33)22-33)28-6-4-5-27(17-28)26-9-7-25(8-10-26)19-41-3/h4-10,17,24H,11-16,18-23H2,1-3H3.
What are the key properties of 2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-[4-(methoxymethyl)phenyl]phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]acetamide?
2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-[4-(methoxymethyl)phenyl]phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]acetamide has a molecular weight of 571.74 g/mol, XLogP of 7.91, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-[4-(methoxymethyl)phenyl]phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]acetamide is sourced from PubChem (CID 171474020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).