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

C24H24F5N3O4 — CID 174161392

IUPAC2-[(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
SMILESO=C(Nc1cc(F)c(OC2CC3CC3C2)c(F)c1)c1nc(N2C[C@@H]3CCO[C@@H]3C2)oc1CC(F)(F)F
InChIInChI=1S/C24H24F5N3O4/c25-16-6-14(7-17(26)21(16)35-15-4-12-3-13(12)5-15)30-22(33)20-18(8-24(27,28)29)36-23(31-20)32-9-11-1-2-34-19(11)10-32/h6-7,11-13,15,19H,1-5,8-10H2,(H,30,33)/t11-,12?,13?,15?,19+/m0/s1
InChIKeyXBSAZUQYASJMFX-HCFQKZSUSA-N
MW513.46 g/mol
LogP4.71
Rot. Bonds6

About 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

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 (PubChem CID 174161392) has the molecular formula C24H24F5N3O4 and a molecular weight of 513.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID174161392
Molecular FormulaC24H24F5N3O4
Molecular Weight513.46 g/mol
Exact Mass513.17
IUPAC Name2-[(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
SMILESO=C(Nc1cc(F)c(OC2CC3CC3C2)c(F)c1)c1nc(N2C[C@@H]3CCO[C@@H]3C2)oc1CC(F)(F)F
InChIInChI=1S/C24H24F5N3O4/c25-16-6-14(7-17(26)21(16)35-15-4-12-3-13(12)5-15)30-22(33)20-18(8-24(27,28)29)36-23(31-20)32-9-11-1-2-34-19(11)10-32/h6-7,11-13,15,19H,1-5,8-10H2,(H,30,33)/t11-,12?,13?,15?,19+/m0/s1
InChIKeyXBSAZUQYASJMFX-HCFQKZSUSA-N
XLogP4.71
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.46
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
2-(3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl)-N-[4-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-3-fluorophenyl]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 171579607
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
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-[[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
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
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-(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
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
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]-3,5-difluorophenyl]-2-[2-methoxyethyl(2-methylpropyl)amino]-5-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 170720469
N-[4-[[(5S)-3-bicyclo[3.1.0]hexanyl]oxy]-3,5-difluorophenyl]-5-ethyl-2-pyrazol-1-yl-1,3-oxazole-4-carboxamide
CID 171579629

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(Nc1cc(F)c(OC2CC3CC3C2)c(F)c1)c1nc(N2C[C@@H]3CCO[C@@H]3C2)oc1CC(F)(F)F.
What is the InChIKey of 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?
The InChIKey is XBSAZUQYASJMFX-HCFQKZSUSA-N. The full InChI is InChI=1S/C24H24F5N3O4/c25-16-6-14(7-17(26)21(16)35-15-4-12-3-13(12)5-15)30-22(33)20-18(8-24(27,28)29)36-23(31-20)32-9-11-1-2-34-19(11)10-32/h6-7,11-13,15,19H,1-5,8-10H2,(H,30,33)/t11-,12?,13?,15?,19+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 513.46 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 174161392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).