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

C20H18F2N2O3 — CID 58319204

IUPACN-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1cccc(-c2nc(C(=O)N[C@H](C)c3cc(F)c(C)c(F)c3)co2)c1
InChIInChI=1S/C20H18F2N2O3/c1-11-16(21)8-14(9-17(11)22)12(2)23-19(25)18-10-27-20(24-18)13-5-4-6-15(7-13)26-3/h4-10,12H,1-3H3,(H,23,25)/t12-/m1/s1
InChIKeyIVLSCEGUCJPXQM-GFCCVEGCSA-N
MW372.37 g/mol
LogP4.43
Rot. Bonds5

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

N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 58319204) has the molecular formula C20H18F2N2O3 and a molecular weight of 372.37 g/mol. Its IUPAC name is N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
PubChem CID58319204
Molecular FormulaC20H18F2N2O3
Molecular Weight372.37 g/mol
Exact Mass372.13
IUPAC NameN-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1cccc(-c2nc(C(=O)N[C@H](C)c3cc(F)c(C)c(F)c3)co2)c1
InChIInChI=1S/C20H18F2N2O3/c1-11-16(21)8-14(9-17(11)22)12(2)23-19(25)18-10-27-20(24-18)13-5-4-6-15(7-13)26-3/h4-10,12H,1-3H3,(H,23,25)/t12-/m1/s1
InChIKeyIVLSCEGUCJPXQM-GFCCVEGCSA-N
XLogP4.43
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 67111279
N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-(2-methoxy-5-propan-2-ylphenyl)-1,3-oxazole-4-carboxamide
CID 58319266
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-(3-nitrophenoxy)-1,3-oxazole-4-carboxamide
CID 58319260
2-(3-amino-1H-indazol-5-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 11625034
N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-(3-methylsulfanylphenyl)-1,3-oxazole-4-carboxamide
CID 67239219
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
2-(cyclohexylmethylamino)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 58319241
6-fluoro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 115497979
N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1,3-oxazole-4-carboxamide
CID 58319196
N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-2-naphthalen-1-yl-1,3-oxazole-4-carboxamide
CID 67237818

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide (CID 58319204) is N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide is COc1cccc(-c2nc(C(=O)N[C@H](C)c3cc(F)c(C)c(F)c3)co2)c1.
What is the InChIKey of N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is IVLSCEGUCJPXQM-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H18F2N2O3/c1-11-16(21)8-14(9-17(11)22)12(2)23-19(25)18-10-27-20(24-18)13-5-4-6-15(7-13)26-3/h4-10,12H,1-3H3,(H,23,25)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide?
N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 372.37 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 58319204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).