N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide

C25H26F5N3O4 — CID 170720213

IUPACN-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cc(F)c(OC2CC3CC3C2)c(F)c1)c1nc(N2CC3(CCOCC3)C2)oc1CC(F)(F)F
InChIInChI=1S/C25H26F5N3O4/c26-17-8-15(9-18(27)21(17)36-16-6-13-5-14(13)7-16)31-22(34)20-19(10-25(28,29)30)37-23(32-20)33-11-24(12-33)1-3-35-4-2-24/h8-9,13-14,16H,1-7,10-12H2,(H,31,34)
InChIKeyHEMFPAROIAJSRL-UHFFFAOYSA-N
MW527.49 g/mol
LogP5.10
Rot. Bonds6

About N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide

N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide (PubChem CID 170720213) has the molecular formula C25H26F5N3O4 and a molecular weight of 527.49 g/mol. Its IUPAC name is N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
PubChem CID170720213
Molecular FormulaC25H26F5N3O4
Molecular Weight527.49 g/mol
Exact Mass527.18
IUPAC NameN-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cc(F)c(OC2CC3CC3C2)c(F)c1)c1nc(N2CC3(CCOCC3)C2)oc1CC(F)(F)F
InChIInChI=1S/C25H26F5N3O4/c26-17-8-15(9-18(27)21(17)36-16-6-13-5-14(13)7-16)31-22(34)20-19(10-25(28,29)30)37-23(32-20)33-11-24(12-33)1-3-35-4-2-24/h8-9,13-14,16H,1-7,10-12H2,(H,31,34)
InChIKeyHEMFPAROIAJSRL-UHFFFAOYSA-N
XLogP5.10
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.49
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

4-{4-[(dimethylamino)carbonyl]-5-methyl-1,3-oxazol-2-yl}-N-(3-fluoro-4-methoxyphenyl)piperidine-1-carboxamide
CID 53168460
N-[4-(3-bicyclo[3.1.0]hexanylmethoxy)-3-fluorophenyl]-2-pyrrolidin-1-yl-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 170720214
N-[4-(2,2-difluorocyclopentyl)oxy-3-fluorophenyl]-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 170720215
N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 170720216
N-[4-(3-bicyclo[3.1.1]heptanyloxy)-3-fluorophenyl]-2-(3,3-diethylazetidin-1-yl)-5-(2-fluoroethyl)-1,3-oxazole-4-carboxamide
CID 170720218
N-[4-(3-bicyclo[3.1.1]heptanyloxy)-3-fluoro-5-methylphenyl]-2-(3,3-diethylazetidin-1-yl)-5-(2-fluoroethyl)-1,3-oxazole-4-carboxamide
CID 170720219
N-[4-(2,2-difluorocyclopentyl)oxy-3-fluorophenyl]-2-(2,3-dihydroindol-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 170720220
N-[4-(3-bicyclo[3.1.1]heptanyloxy)-3-fluoro-5-methylphenyl]-5-ethyl-2-pyrrolidin-1-yl-1,3-oxazole-4-carboxamide
CID 170720221
N-[4-(3-bicyclo[3.1.1]heptanyloxy)-3-fluoro-5-methylphenyl]-2-(3-ethyl-3-methoxyazetidin-1-yl)-5-(2-fluoroethyl)-1,3-oxazole-4-carboxamide
CID 170720224
N-[4-(2,2-difluorocyclopentyl)oxy-3-fluorophenyl]-2-(2,2-dimethylmorpholin-4-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 170720225
N-[3,5-difluoro-4-(oxolan-3-yloxy)phenyl]-5-ethyl-2-(3-ethyl-3-methoxyazetidin-1-yl)-1,3-oxazole-4-carboxamide
CID 170720226
N-[4-(1-bicyclo[1.1.1]pentanylmethoxy)-3,5-difluorophenyl]-2-pyrrolidin-1-yl-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 170720228

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide (CID 170720213) is N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide is O=C(Nc1cc(F)c(OC2CC3CC3C2)c(F)c1)c1nc(N2CC3(CCOCC3)C2)oc1CC(F)(F)F.
What is the InChIKey of N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is HEMFPAROIAJSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F5N3O4/c26-17-8-15(9-18(27)21(17)36-16-6-13-5-14(13)7-16)31-22(34)20-19(10-25(28,29)30)37-23(32-20)33-11-24(12-33)1-3-35-4-2-24/h8-9,13-14,16H,1-7,10-12H2,(H,31,34).
What are the key properties of N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?
N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 527.49 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 170720213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).