N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-oxazole-4-carboxamide

C19H14F5N3O3 — CID 58319196

IUPACN-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-oxazole-4-carboxamide
SMILESCc1c(F)cc([C@@H](C)NC(=O)c2coc(Oc3cc(C(F)(F)F)ccn3)n2)cc1F
InChIInChI=1S/C19H14F5N3O3/c1-9-13(20)5-11(6-14(9)21)10(2)26-17(28)15-8-29-18(27-15)30-16-7-12(3-4-25-16)19(22,23)24/h3-8,10H,1-2H3,(H,26,28)/t10-/m1/s1
InChIKeyBREXTKUJFXBAGR-SNVBAGLBSA-N
MW427.33 g/mol
LogP4.96
Rot. Bonds5

About N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-oxazole-4-carboxamide

N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-oxazole-4-carboxamide (PubChem CID 58319196) has the molecular formula C19H14F5N3O3 and a molecular weight of 427.33 g/mol. Its IUPAC name is N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-oxazole-4-carboxamide
PubChem CID58319196
Molecular FormulaC19H14F5N3O3
Molecular Weight427.33 g/mol
Exact Mass427.10
IUPAC NameN-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-oxazole-4-carboxamide
SMILESCc1c(F)cc([C@@H](C)NC(=O)c2coc(Oc3cc(C(F)(F)F)ccn3)n2)cc1F
InChIInChI=1S/C19H14F5N3O3/c1-9-13(20)5-11(6-14(9)21)10(2)26-17(28)15-8-29-18(27-15)30-16-7-12(3-4-25-16)19(22,23)24/h3-8,10H,1-2H3,(H,26,28)/t10-/m1/s1
InChIKeyBREXTKUJFXBAGR-SNVBAGLBSA-N
XLogP4.96
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.33
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-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

Related Compounds

N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]-1,3-oxazole-4-carboxamide
CID 58319177
2-[3,5-bis(trifluoromethyl)phenoxy]-N-[1-(3,5-difluoro-4-methylphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 90863373
N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[3-(trifluoromethyl)phenoxy]-1,3-oxazole-4-carboxamide
CID 44602936
N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-(3-nitrophenoxy)-1,3-oxazole-4-carboxamide
CID 58319260
N-[1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 76759521
N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-(2-methoxy-5-propan-2-ylphenyl)-1,3-oxazole-4-carboxamide
CID 58319266
N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 58319204
2-[(6-chloro-2-pyridinyl)oxy]-N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-1,3-oxazole-4-carboxamide
CID 87273457
N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-[3-(1,1,1-trifluoropropan-2-yl)phenoxy]-1,3-oxazole-4-carboxamide
CID 67111314
2-(cyclohexylmethylamino)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 58319241
N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-nitrophenoxy)-1,3-oxazole-4-carboxamide
CID 67238143
2-(5-tert-butylocta-1,3,5-trien-2-yl)-N-[1-(3,5-difluoro-4-methylphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 91269981

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-oxazole-4-carboxamide (CID 58319196) is N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-oxazole-4-carboxamide is Cc1c(F)cc([C@@H](C)NC(=O)c2coc(Oc3cc(C(F)(F)F)ccn3)n2)cc1F.
What is the InChIKey of N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-oxazole-4-carboxamide?
The InChIKey is BREXTKUJFXBAGR-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H14F5N3O3/c1-9-13(20)5-11(6-14(9)21)10(2)26-17(28)15-8-29-18(27-15)30-16-7-12(3-4-25-16)19(22,23)24/h3-8,10H,1-2H3,(H,26,28)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-oxazole-4-carboxamide?
N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-oxazole-4-carboxamide has a molecular weight of 427.33 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 58319196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).