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

C30H32F3N5O3 — CID 171474075

IUPACN-[[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
SMILESO=C(CC12CC(F)(C1)C2)N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2noc(C(F)F)n2)c1
InChIInChI=1S/C30H32F3N5O3/c31-22(32)25-34-24(36-40-25)19-2-1-3-20(12-19)38(21(39)13-28-14-30(33,15-28)16-28)17-27-6-9-29(10-7-27,11-8-27)26-35-23(37-41-26)18-4-5-18/h1-3,12,18,22H,4-11,13-17H2
InChIKeyXMRZBMMASADOBG-UHFFFAOYSA-N
MW567.61 g/mol
LogP6.84
Rot. Bonds9

About 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

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 (PubChem CID 171474075) has the molecular formula C30H32F3N5O3 and a molecular weight of 567.61 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-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide.

Molecular Properties

Compound NameN-[[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
PubChem CID171474075
Molecular FormulaC30H32F3N5O3
Molecular Weight567.61 g/mol
Exact Mass567.25
IUPAC NameN-[[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
SMILESO=C(CC12CC(F)(C1)C2)N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2noc(C(F)F)n2)c1
InChIInChI=1S/C30H32F3N5O3/c31-22(32)25-34-24(36-40-25)19-2-1-3-20(12-19)38(21(39)13-28-14-30(33,15-28)16-28)17-27-6-9-29(10-7-27,11-8-27)26-35-23(37-41-26)18-4-5-18/h1-3,12,18,22H,4-11,13-17H2
InChIKeyXMRZBMMASADOBG-UHFFFAOYSA-N
XLogP6.84
TPSA98.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.61
LogP ≤ 56.84
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-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide with MolForge

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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-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide?
The IUPAC name of 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) is 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.
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-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide?
The canonical SMILES for 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 is O=C(CC12CC(F)(C1)C2)N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2noc(C(F)F)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-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide?
The InChIKey is XMRZBMMASADOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F3N5O3/c31-22(32)25-34-24(36-40-25)19-2-1-3-20(12-19)38(21(39)13-28-14-30(33,15-28)16-28)17-27-6-9-29(10-7-27,11-8-27)26-35-23(37-41-26)18-4-5-18/h1-3,12,18,22H,4-11,13-17H2.
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-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide?
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 has a molecular weight of 567.61 g/mol, XLogP of 6.84, 9 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-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide is sourced from PubChem (CID 171474075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).