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

C34H40FN3O3 — CID 171474309

IUPAC2-(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
SMILESCOc1ccc(-c2cccc(N(CC34CCC(c5nc(C(C)C)no5)(CC3)CC4)C(=O)CC34CC(F)(C3)C4)c2)cc1
InChIInChI=1S/C34H40FN3O3/c1-23(2)29-36-30(41-37-29)33-14-11-31(12-15-33,13-16-33)22-38(28(39)18-32-19-34(35,20-32)21-32)26-6-4-5-25(17-26)24-7-9-27(40-3)10-8-24/h4-10,17,23H,11-16,18-22H2,1-3H3
InChIKeyQHCMGWIACAHNGH-UHFFFAOYSA-N
MW557.71 g/mol
LogP7.78
Rot. Bonds9

About 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

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 (PubChem CID 171474309) has the molecular formula C34H40FN3O3 and a molecular weight of 557.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID171474309
Molecular FormulaC34H40FN3O3
Molecular Weight557.71 g/mol
Exact Mass557.31
IUPAC Name2-(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
SMILESCOc1ccc(-c2cccc(N(CC34CCC(c5nc(C(C)C)no5)(CC3)CC4)C(=O)CC34CC(F)(C3)C4)c2)cc1
InChIInChI=1S/C34H40FN3O3/c1-23(2)29-36-30(41-37-29)33-14-11-31(12-15-33,13-16-33)22-38(28(39)18-32-19-34(35,20-32)21-32)26-6-4-5-25(17-26)24-7-9-27(40-3)10-8-24/h4-10,17,23H,11-16,18-22H2,1-3H3
InChIKeyQHCMGWIACAHNGH-UHFFFAOYSA-N
XLogP7.78
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.71
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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-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]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-(5-methoxypyrimidin-2-yl)phenyl]acetamide
CID 171474351
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-(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
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-[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
2-(3,3-difluorocyclobutyl)-N-[3-(3-methoxyphenyl)phenyl]-N-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]acetamide
CID 171473870
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(-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-methoxyphenyl)phenyl]-N-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]acetamide?
The InChIKey is QHCMGWIACAHNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40FN3O3/c1-23(2)29-36-30(41-37-29)33-14-11-31(12-15-33,13-16-33)22-38(28(39)18-32-19-34(35,20-32)21-32)26-6-4-5-25(17-26)24-7-9-27(40-3)10-8-24/h4-10,17,23H,11-16,18-22H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 557.71 g/mol, XLogP of 7.78, 9 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-methoxyphenyl)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 171474309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).