N,5-bis[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide

C18H10F6N2O2 — CID 10620978

IUPACN,5-bis[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cnoc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H10F6N2O2/c19-17(20,21)11-3-1-10(2-4-11)15-14(9-25-28-15)16(27)26-13-7-5-12(6-8-13)18(22,23)24/h1-9H,(H,26,27)
InChIKeyVOEVTPPPHKVAII-UHFFFAOYSA-N
MW400.28 g/mol
LogP5.63
Rot. Bonds3

About N,5-bis[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide

N,5-bis[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 10620978) has the molecular formula C18H10F6N2O2 and a molecular weight of 400.28 g/mol. Its IUPAC name is N,5-bis[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN,5-bis[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID10620978
Molecular FormulaC18H10F6N2O2
Molecular Weight400.28 g/mol
Exact Mass400.06
IUPAC NameN,5-bis[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cnoc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H10F6N2O2/c19-17(20,21)11-3-1-10(2-4-11)15-14(9-25-28-15)16(27)26-13-7-5-12(6-8-13)18(22,23)24/h1-9H,(H,26,27)
InChIKeyVOEVTPPPHKVAII-UHFFFAOYSA-N
XLogP5.63
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.28
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Leflunomide
CID 3899
3-(2,4-difluorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 16030825
N-[5-[(3,5-dimethylbenzoyl)amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122189928
N-(2-fluorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 868173
N-[5-[[2-(2-fluorophenyl)acetyl]amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122189921
5-methyl-N-[2-methyl-5-[[2-(4-phenylphenyl)acetyl]amino]phenyl]-1,2-oxazole-4-carboxamide
CID 122189926
5-methyl-N-[2-methyl-5-[(4-phenylbenzoyl)amino]phenyl]-1,2-oxazole-4-carboxamide
CID 122189929
5-(2-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 168872843
5-methyl-3-[2-(trifluoromethyl)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 175455375
3-(2-fluorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 175455593
5-methyl-3-phenyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 807878
N-[4-(diethylamino)phenyl]-5-phenyl-1,2-oxazole-4-carboxamide
CID 110650740

Frequently Asked Questions

What is the IUPAC name of N,5-bis[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of N,5-bis[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide (CID 10620978) is N,5-bis[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N,5-bis[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for N,5-bis[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1cnoc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N,5-bis[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is VOEVTPPPHKVAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F6N2O2/c19-17(20,21)11-3-1-10(2-4-11)15-14(9-25-28-15)16(27)26-13-7-5-12(6-8-13)18(22,23)24/h1-9H,(H,26,27).
What are the key properties of N,5-bis[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
N,5-bis[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 400.28 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-bis[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 10620978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).