N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide

C32H35FN4O3 — CID 155063837

IUPACN-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide
SMILESO=C(N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2cnc(C3CC3)o2)c1)C12CC(F)(C1)C2
InChIInChI=1S/C32H35FN4O3/c33-32-16-31(17-32,18-32)28(38)37(23-3-1-2-22(14-23)24-15-34-26(39-24)21-6-7-21)19-29-8-11-30(12-9-29,13-10-29)27-35-25(36-40-27)20-4-5-20/h1-3,14-15,20-21H,4-13,16-19H2
InChIKeyAOICTJQYDYKEPF-UHFFFAOYSA-N
MW542.66 g/mol
LogP7.00
Rot. Bonds8

About N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(2-cyclopropyl-1,3-oxazol-5-yl)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]-N-[3-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 155063837) has the molecular formula C32H35FN4O3 and a molecular weight of 542.66 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-cyclopropyl-1,3-oxazol-5-yl)phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide
PubChem CID155063837
Molecular FormulaC32H35FN4O3
Molecular Weight542.66 g/mol
Exact Mass542.27
IUPAC NameN-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide
SMILESO=C(N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2cnc(C3CC3)o2)c1)C12CC(F)(C1)C2
InChIInChI=1S/C32H35FN4O3/c33-32-16-31(17-32,18-32)28(38)37(23-3-1-2-22(14-23)24-15-34-26(39-24)21-6-7-21)19-29-8-11-30(12-9-29,13-10-29)27-35-25(36-40-27)20-4-5-20/h1-3,14-15,20-21H,4-13,16-19H2
InChIKeyAOICTJQYDYKEPF-UHFFFAOYSA-N
XLogP7.00
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.66
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide 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-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide?
The IUPAC name of N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide (CID 155063837) is N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide.
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-cyclopropyl-1,3-oxazol-5-yl)phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide?
The canonical SMILES for N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide is O=C(N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2cnc(C3CC3)o2)c1)C12CC(F)(C1)C2.
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-cyclopropyl-1,3-oxazol-5-yl)phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide?
The InChIKey is AOICTJQYDYKEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35FN4O3/c33-32-16-31(17-32,18-32)28(38)37(23-3-1-2-22(14-23)24-15-34-26(39-24)21-6-7-21)19-29-8-11-30(12-9-29,13-10-29)27-35-25(36-40-27)20-4-5-20/h1-3,14-15,20-21H,4-13,16-19H2.
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-cyclopropyl-1,3-oxazol-5-yl)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]-N-[3-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 542.66 g/mol, XLogP of 7.00, 8 rotatable bonds, 0 hydrogen bond donors, and 6 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-cyclopropyl-1,3-oxazol-5-yl)phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 155063837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).