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

C33H37F2N5O3 — CID 171473952

IUPACN-[[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
SMILESO=C(CC1CC(F)(F)C1)N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2ccnc(OC3CC3)n2)c1
InChIInChI=1S/C33H37F2N5O3/c34-33(35)18-21(19-33)16-27(41)40(24-3-1-2-23(17-24)26-8-15-36-30(37-26)42-25-6-7-25)20-31-9-12-32(13-10-31,14-11-31)29-38-28(39-43-29)22-4-5-22/h1-3,8,15,17,21-22,25H,4-7,9-14,16,18-20H2
InChIKeyAAZQCXBEBYYDOH-UHFFFAOYSA-N
MW589.69 g/mol
LogP7.01
Rot. Bonds10

About 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

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 (PubChem CID 171473952) has the molecular formula C33H37F2N5O3 and a molecular weight of 589.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[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
PubChem CID171473952
Molecular FormulaC33H37F2N5O3
Molecular Weight589.69 g/mol
Exact Mass589.29
IUPAC NameN-[[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
SMILESO=C(CC1CC(F)(F)C1)N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2ccnc(OC3CC3)n2)c1
InChIInChI=1S/C33H37F2N5O3/c34-33(35)18-21(19-33)16-27(41)40(24-3-1-2-23(17-24)26-8-15-36-30(37-26)42-25-6-7-25)20-31-9-12-32(13-10-31,14-11-31)29-38-28(39-43-29)22-4-5-22/h1-3,8,15,17,21-22,25H,4-7,9-14,16,18-20H2
InChIKeyAAZQCXBEBYYDOH-UHFFFAOYSA-N
XLogP7.01
TPSA94.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.69
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 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]-N-[3-(5-cyclopropyl-1,2-oxazol-3-yl)phenyl]-2-(3,3-difluorocyclopentyl)acetamide
CID 171473922
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]-2-(3,3-difluorocyclobutyl)-N-[3-(3-ethyl-2-oxo-1,3-oxazol-5-yl)phenyl]acetamide
CID 171474352
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
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
N-[3-(2-cyclopropyl-1,3-oxazol-4-yl)phenyl]-N-[[4-(4-cyclopropyl-1,3-thiazol-2-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3,3-difluorocyclobutyl)acetamide
CID 171474424
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
N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(4-methylpyrimidin-2-yl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 155060782
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]-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]-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-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

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]-N-[3-(2-cyclopropyloxypyrimidin-4-yl)phenyl]-2-(3,3-difluorocyclobutyl)acetamide?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(CC1CC(F)(F)C1)N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2ccnc(OC3CC3)n2)c1.
What is the InChIKey of 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?
The InChIKey is AAZQCXBEBYYDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37F2N5O3/c34-33(35)18-21(19-33)16-27(41)40(24-3-1-2-23(17-24)26-8-15-36-30(37-26)42-25-6-7-25)20-31-9-12-32(13-10-31,14-11-31)29-38-28(39-43-29)22-4-5-22/h1-3,8,15,17,21-22,25H,4-7,9-14,16,18-20H2.
What are the key properties of 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?
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 has a molecular weight of 589.69 g/mol, XLogP of 7.01, 10 rotatable bonds, 0 hydrogen bond donors, and 7 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]-N-[3-(2-cyclopropyloxypyrimidin-4-yl)phenyl]-2-(3,3-difluorocyclobutyl)acetamide is sourced from PubChem (CID 171473952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).