N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C14H10F6N2O2 — CID 7926548

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H10F6N2O2/c1-6-11(7(2)24-22-6)12(23)21-10-4-8(13(15,16)17)3-9(5-10)14(18,19)20/h3-5H,1-2H3,(H,21,23)
InChIKeyGGDZSPJGRBPKFW-UHFFFAOYSA-N
MW352.23 g/mol
LogP4.58
Rot. Bonds2

About N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 7926548) has the molecular formula C14H10F6N2O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID7926548
Molecular FormulaC14H10F6N2O2
Molecular Weight352.23 g/mol
Exact Mass352.06
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H10F6N2O2/c1-6-11(7(2)24-22-6)12(23)21-10-4-8(13(15,16)17)3-9(5-10)14(18,19)20/h3-5H,1-2H3,(H,21,23)
InChIKeyGGDZSPJGRBPKFW-UHFFFAOYSA-N
XLogP4.58
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 78802108
3-tert-butyl-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 110423356
N-(4-hydroxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 28780641
N-(4-bromophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 770330
3-(2-chlorophenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 2803712
N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 1245318
N-[4-(2-hydroxyethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 61222499
N-(2-fluoro-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 17414759
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7563095
N-[3,5-bis(trifluoromethyl)phenyl]-2,6-dichlorobenzamide
CID 134094337
N-[3-(cyclopropanecarbonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 38324737
N-(4-hydroxy-2,5-dimethylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 106834710

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 7926548) is N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is GGDZSPJGRBPKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F6N2O2/c1-6-11(7(2)24-22-6)12(23)21-10-4-8(13(15,16)17)3-9(5-10)14(18,19)20/h3-5H,1-2H3,(H,21,23).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 352.23 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 7926548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).