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

C23H22F5N3O4 — CID 170720216

IUPACN-[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
SMILESO=C(Nc1cc(F)c(OC2CC3CC3C2)c(F)c1)c1nc(N2CC3CC2CO3)oc1CC(F)(F)F
InChIInChI=1S/C23H22F5N3O4/c24-16-4-12(5-17(25)20(16)34-14-2-10-1-11(10)3-14)29-21(32)19-18(7-23(26,27)28)35-22(30-19)31-8-15-6-13(31)9-33-15/h4-5,10-11,13-15H,1-3,6-9H2,(H,29,32)
InChIKeyAZFRHYCLEKQPDB-UHFFFAOYSA-N
MW499.44 g/mol
LogP4.46
Rot. Bonds6

About 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

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 (PubChem CID 170720216) has the molecular formula C23H22F5N3O4 and a molecular weight of 499.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID170720216
Molecular FormulaC23H22F5N3O4
Molecular Weight499.44 g/mol
Exact Mass499.15
IUPAC NameN-[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
SMILESO=C(Nc1cc(F)c(OC2CC3CC3C2)c(F)c1)c1nc(N2CC3CC2CO3)oc1CC(F)(F)F
InChIInChI=1S/C23H22F5N3O4/c24-16-4-12(5-17(25)20(16)34-14-2-10-1-11(10)3-14)29-21(32)19-18(7-23(26,27)28)35-22(30-19)31-8-15-6-13(31)9-33-15/h4-5,10-11,13-15H,1-3,6-9H2,(H,29,32)
InChIKeyAZFRHYCLEKQPDB-UHFFFAOYSA-N
XLogP4.46
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(Nc1cc(F)c(OC2CC3CC3C2)c(F)c1)c1nc(N2CC3CC2CO3)oc1CC(F)(F)F.
What is the InChIKey of 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?
The InChIKey is AZFRHYCLEKQPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F5N3O4/c24-16-4-12(5-17(25)20(16)34-14-2-10-1-11(10)3-14)29-21(32)19-18(7-23(26,27)28)35-22(30-19)31-8-15-6-13(31)9-33-15/h4-5,10-11,13-15H,1-3,6-9H2,(H,29,32).
What are the key properties of 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?
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 has a molecular weight of 499.44 g/mol, XLogP of 4.46, 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-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 170720216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).