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

C34H44N4O3S — CID 171473167

IUPAC2-cyclohexyl-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(C)(O)c1nc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)CC3CCCCC3)c2)cs1
InChIInChI=1S/C34H44N4O3S/c1-32(2,40)31-35-27(21-42-31)25-9-6-10-26(20-25)38(28(39)19-23-7-4-3-5-8-23)22-33-13-16-34(17-14-33,18-15-33)30-36-29(37-41-30)24-11-12-24/h6,9-10,20-21,23-24,40H,3-5,7-8,11-19,22H2,1-2H3
InChIKeyWOJGIWRMTNBKLE-UHFFFAOYSA-N
MW588.82 g/mol
LogP7.89
Rot. Bonds9

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

2-cyclohexyl-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 171473167) has the molecular formula C34H44N4O3S and a molecular weight of 588.82 g/mol. Its IUPAC name is 2-cyclohexyl-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID171473167
Molecular FormulaC34H44N4O3S
Molecular Weight588.82 g/mol
Exact Mass588.31
IUPAC Name2-cyclohexyl-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(C)(O)c1nc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)CC3CCCCC3)c2)cs1
InChIInChI=1S/C34H44N4O3S/c1-32(2,40)31-35-27(21-42-31)25-9-6-10-26(20-25)38(28(39)19-23-7-4-3-5-8-23)22-33-13-16-34(17-14-33,18-15-33)30-36-29(37-41-30)24-11-12-24/h6,9-10,20-21,23-24,40H,3-5,7-8,11-19,22H2,1-2H3
InChIKeyWOJGIWRMTNBKLE-UHFFFAOYSA-N
XLogP7.89
TPSA92.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.82
LogP ≤ 57.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

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-(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
N-[3-(2-cyclopropyl-1-methylimidazol-4-yl)phenyl]-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(oxan-3-yl)acetamide
CID 171473186
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-(5-cyclopropyl-1,2-oxazol-3-yl)phenyl]-2-(3,3-difluorocyclopentyl)acetamide
CID 171473922
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]-N-[3-(2-cyclopropyloxypyrimidin-4-yl)phenyl]-2-(3,3-difluorocyclobutyl)acetamide
CID 171473952
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]-2-(3,3-difluorocyclobutyl)-N-[3-(3-ethyl-2-oxo-1,3-oxazol-5-yl)phenyl]acetamide
CID 171474352
N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(5-methyl-2-pyridinyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 155060475
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-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3,3-dimethylpiperidine-1-carboxamide
CID 154683591

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]phenyl]acetamide (CID 171473167) is 2-cyclohexyl-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]phenyl]acetamide is CC(C)(O)c1nc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)CC3CCCCC3)c2)cs1.
What is the InChIKey of 2-cyclohexyl-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is WOJGIWRMTNBKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44N4O3S/c1-32(2,40)31-35-27(21-42-31)25-9-6-10-26(20-25)38(28(39)19-23-7-4-3-5-8-23)22-33-13-16-34(17-14-33,18-15-33)30-36-29(37-41-30)24-11-12-24/h6,9-10,20-21,23-24,40H,3-5,7-8,11-19,22H2,1-2H3.
What are the key properties of 2-cyclohexyl-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]phenyl]acetamide?
2-cyclohexyl-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 588.82 g/mol, XLogP of 7.89, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 171473167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).