N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide

C24H22F7N3O3 — CID 170720302

IUPACN-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cc(F)c(OC2CC3CC3C2)c(F)c1)c1nc(N2CC3(C2)CC(F)(F)C3)oc1CC(F)(F)F
InChIInChI=1S/C24H22F7N3O3/c25-15-4-13(5-16(26)19(15)36-14-2-11-1-12(11)3-14)32-20(35)18-17(6-24(29,30)31)37-21(33-18)34-9-22(10-34)7-23(27,28)8-22/h4-5,11-12,14H,1-3,6-10H2,(H,32,35)
InChIKeyPNNGPDHPQMYUND-UHFFFAOYSA-N
MW533.44 g/mol
LogP5.72
Rot. Bonds6

About N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide

N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide (PubChem CID 170720302) has the molecular formula C24H22F7N3O3 and a molecular weight of 533.44 g/mol. Its IUPAC name is N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-(6,6-difluoro-2-azaspiro[3.3]heptan-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-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
PubChem CID170720302
Molecular FormulaC24H22F7N3O3
Molecular Weight533.44 g/mol
Exact Mass533.15
IUPAC NameN-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cc(F)c(OC2CC3CC3C2)c(F)c1)c1nc(N2CC3(C2)CC(F)(F)C3)oc1CC(F)(F)F
InChIInChI=1S/C24H22F7N3O3/c25-15-4-13(5-16(26)19(15)36-14-2-11-1-12(11)3-14)32-20(35)18-17(6-24(29,30)31)37-21(33-18)34-9-22(10-34)7-23(27,28)8-22/h4-5,11-12,14H,1-3,6-10H2,(H,32,35)
InChIKeyPNNGPDHPQMYUND-UHFFFAOYSA-N
XLogP5.72
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.44
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-(6,6-difluoro-2-azaspiro[3.3]heptan-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-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide (CID 170720302) is N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-(6,6-difluoro-2-azaspiro[3.3]heptan-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-(6,6-difluoro-2-azaspiro[3.3]heptan-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-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide is O=C(Nc1cc(F)c(OC2CC3CC3C2)c(F)c1)c1nc(N2CC3(C2)CC(F)(F)C3)oc1CC(F)(F)F.
What is the InChIKey of N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is PNNGPDHPQMYUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F7N3O3/c25-15-4-13(5-16(26)19(15)36-14-2-11-1-12(11)3-14)32-20(35)18-17(6-24(29,30)31)37-21(33-18)34-9-22(10-34)7-23(27,28)8-22/h4-5,11-12,14H,1-3,6-10H2,(H,32,35).
What are the key properties of N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?
N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 533.44 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 170720302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).