N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3-fluoro-5-methylphenyl]-2-(3-methoxy-3-methylazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide

C24H27F4N3O4 — CID 170720413

IUPACN-[4-(3-bicyclo[3.1.0]hexanyloxy)-3-fluoro-5-methylphenyl]-2-(3-methoxy-3-methylazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
SMILESCOC1(C)CN(c2nc(C(=O)Nc3cc(C)c(OC4CC5CC5C4)c(F)c3)c(CC(F)(F)F)o2)C1
InChIInChI=1S/C24H27F4N3O4/c1-12-4-15(8-17(25)20(12)34-16-6-13-5-14(13)7-16)29-21(32)19-18(9-24(26,27)28)35-22(30-19)31-10-23(2,11-31)33-3/h4,8,13-14,16H,5-7,9-11H2,1-3H3,(H,29,32)
InChIKeyRUPIBZXSALSUFV-UHFFFAOYSA-N
MW497.49 g/mol
LogP4.88
Rot. Bonds7

About N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3-fluoro-5-methylphenyl]-2-(3-methoxy-3-methylazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide

N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3-fluoro-5-methylphenyl]-2-(3-methoxy-3-methylazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide (PubChem CID 170720413) has the molecular formula C24H27F4N3O4 and a molecular weight of 497.49 g/mol. Its IUPAC name is N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3-fluoro-5-methylphenyl]-2-(3-methoxy-3-methylazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-bicyclo[3.1.0]hexanyloxy)-3-fluoro-5-methylphenyl]-2-(3-methoxy-3-methylazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
PubChem CID170720413
Molecular FormulaC24H27F4N3O4
Molecular Weight497.49 g/mol
Exact Mass497.19
IUPAC NameN-[4-(3-bicyclo[3.1.0]hexanyloxy)-3-fluoro-5-methylphenyl]-2-(3-methoxy-3-methylazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
SMILESCOC1(C)CN(c2nc(C(=O)Nc3cc(C)c(OC4CC5CC5C4)c(F)c3)c(CC(F)(F)F)o2)C1
InChIInChI=1S/C24H27F4N3O4/c1-12-4-15(8-17(25)20(12)34-16-6-13-5-14(13)7-16)29-21(32)19-18(9-24(26,27)28)35-22(30-19)31-10-23(2,11-31)33-3/h4,8,13-14,16H,5-7,9-11H2,1-3H3,(H,29,32)
InChIKeyRUPIBZXSALSUFV-UHFFFAOYSA-N
XLogP4.88
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.49
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3-fluoro-5-methylphenyl]-2-(3-methoxy-3-methylazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-[3-ethyl-3-(methoxymethyl)azetidin-1-yl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide;N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3-fluoro-5-methylphenyl]-2-(3-methoxy-3-methylazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide;molecular hydrogen
CID 170720412
N-[4-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluoro-5-methylphenyl]-5-(2-fluoroethyl)-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide
CID 170720769
N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-(3,3-diethylazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 170720481
N-[4-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluoro-5-methylphenyl]-2-(3,3-diethylazetidin-1-yl)-5-(methoxymethyl)-1,3-oxazole-4-carboxamide
CID 171579625
N-[4-(3-bicyclo[3.1.1]heptanyloxy)-3,5-difluorophenyl]-2-(3-ethyl-3-methoxyazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 170720626
2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 174161392
N-[4-(2-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-2-(3,3-dimethylazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 171579671
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 170720255
2-(5-azaspiro[2.4]heptan-5-yl)-N-[4-[[(5R)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluorophenyl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 170720630
2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl)-N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 170720704
N-[3-chloro-5-fluoro-4-(3-methylcyclopentyl)oxyphenyl]-5-ethyl-2-(3-methoxy-3-methylazetidin-1-yl)-1,3-oxazole-4-carboxamide
CID 170720523
N-[4-[[1-[2-[4-[[4-(3-bicyclo[3.1.0]hexanyloxy)-3,5-difluorophenyl]carbamoyl]-5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-tricyclo[3.1.0.02,6]hexanyl]oxy]-3,5-difluorophenyl]-2-pyrrolidin-1-yl-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 170720363

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3-fluoro-5-methylphenyl]-2-(3-methoxy-3-methylazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3-fluoro-5-methylphenyl]-2-(3-methoxy-3-methylazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide (CID 170720413) is N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3-fluoro-5-methylphenyl]-2-(3-methoxy-3-methylazetidin-1-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-fluoro-5-methylphenyl]-2-(3-methoxy-3-methylazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3-fluoro-5-methylphenyl]-2-(3-methoxy-3-methylazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide is COC1(C)CN(c2nc(C(=O)Nc3cc(C)c(OC4CC5CC5C4)c(F)c3)c(CC(F)(F)F)o2)C1.
What is the InChIKey of N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3-fluoro-5-methylphenyl]-2-(3-methoxy-3-methylazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is RUPIBZXSALSUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F4N3O4/c1-12-4-15(8-17(25)20(12)34-16-6-13-5-14(13)7-16)29-21(32)19-18(9-24(26,27)28)35-22(30-19)31-10-23(2,11-31)33-3/h4,8,13-14,16H,5-7,9-11H2,1-3H3,(H,29,32).
What are the key properties of N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3-fluoro-5-methylphenyl]-2-(3-methoxy-3-methylazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide?
N-[4-(3-bicyclo[3.1.0]hexanyloxy)-3-fluoro-5-methylphenyl]-2-(3-methoxy-3-methylazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 497.49 g/mol, XLogP of 4.88, 7 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-fluoro-5-methylphenyl]-2-(3-methoxy-3-methylazetidin-1-yl)-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 170720413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).