N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-(difluoromethyl)-N-[3-(2-propyl-1,3-oxazol-5-yl)phenyl]cyclobutane-1-carboxamide

C32H38F2N4O3 — CID 155060478

IUPACN-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-(difluoromethyl)-N-[3-(2-propyl-1,3-oxazol-5-yl)phenyl]cyclobutane-1-carboxamide
SMILESCCCc1ncc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C3CC(C(F)F)C3)c2)o1
InChIInChI=1S/C32H38F2N4O3/c1-2-4-26-35-18-25(40-26)21-5-3-6-24(17-21)38(29(39)23-15-22(16-23)27(33)34)19-31-9-12-32(13-10-31,14-11-31)30-36-28(37-41-30)20-7-8-20/h3,5-6,17-18,20,22-23,27H,2,4,7-16,19H2,1H3
InChIKeyNXUCGBUKVCIREZ-UHFFFAOYSA-N
MW564.68 g/mol
LogP7.47
Rot. Bonds10

About N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-(difluoromethyl)-N-[3-(2-propyl-1,3-oxazol-5-yl)phenyl]cyclobutane-1-carboxamide

N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-(difluoromethyl)-N-[3-(2-propyl-1,3-oxazol-5-yl)phenyl]cyclobutane-1-carboxamide (PubChem CID 155060478) has the molecular formula C32H38F2N4O3 and a molecular weight of 564.68 g/mol. Its IUPAC name is N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-(difluoromethyl)-N-[3-(2-propyl-1,3-oxazol-5-yl)phenyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-(difluoromethyl)-N-[3-(2-propyl-1,3-oxazol-5-yl)phenyl]cyclobutane-1-carboxamide
PubChem CID155060478
Molecular FormulaC32H38F2N4O3
Molecular Weight564.68 g/mol
Exact Mass564.29
IUPAC NameN-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-(difluoromethyl)-N-[3-(2-propyl-1,3-oxazol-5-yl)phenyl]cyclobutane-1-carboxamide
SMILESCCCc1ncc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C3CC(C(F)F)C3)c2)o1
InChIInChI=1S/C32H38F2N4O3/c1-2-4-26-35-18-25(40-26)21-5-3-6-24(17-21)38(29(39)23-15-22(16-23)27(33)34)19-31-9-12-32(13-10-31,14-11-31)30-36-28(37-41-30)20-7-8-20/h3,5-6,17-18,20,22-23,27H,2,4,7-16,19H2,1H3
InChIKeyNXUCGBUKVCIREZ-UHFFFAOYSA-N
XLogP7.47
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.68
LogP ≤ 57.47
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]-3-(difluoromethyl)-N-[3-(2-propyl-1,3-oxazol-5-yl)phenyl]cyclobutane-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]-3-(difluoromethyl)-N-[3-(2-propyl-1,3-oxazol-5-yl)phenyl]cyclobutane-1-carboxamide?
The IUPAC name of N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-(difluoromethyl)-N-[3-(2-propyl-1,3-oxazol-5-yl)phenyl]cyclobutane-1-carboxamide (CID 155060478) is N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-(difluoromethyl)-N-[3-(2-propyl-1,3-oxazol-5-yl)phenyl]cyclobutane-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]-3-(difluoromethyl)-N-[3-(2-propyl-1,3-oxazol-5-yl)phenyl]cyclobutane-1-carboxamide?
The canonical SMILES for N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-(difluoromethyl)-N-[3-(2-propyl-1,3-oxazol-5-yl)phenyl]cyclobutane-1-carboxamide is CCCc1ncc(-c2cccc(N(CC34CCC(c5nc(C6CC6)no5)(CC3)CC4)C(=O)C3CC(C(F)F)C3)c2)o1.
What is the InChIKey of N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-(difluoromethyl)-N-[3-(2-propyl-1,3-oxazol-5-yl)phenyl]cyclobutane-1-carboxamide?
The InChIKey is NXUCGBUKVCIREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38F2N4O3/c1-2-4-26-35-18-25(40-26)21-5-3-6-24(17-21)38(29(39)23-15-22(16-23)27(33)34)19-31-9-12-32(13-10-31,14-11-31)30-36-28(37-41-30)20-7-8-20/h3,5-6,17-18,20,22-23,27H,2,4,7-16,19H2,1H3.
What are the key properties of N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-(difluoromethyl)-N-[3-(2-propyl-1,3-oxazol-5-yl)phenyl]cyclobutane-1-carboxamide?
N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-(difluoromethyl)-N-[3-(2-propyl-1,3-oxazol-5-yl)phenyl]cyclobutane-1-carboxamide has a molecular weight of 564.68 g/mol, XLogP of 7.47, 10 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]-3-(difluoromethyl)-N-[3-(2-propyl-1,3-oxazol-5-yl)phenyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 155060478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).