3-(2,6-dimethylphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide

C20H17F3N2O2 — CID 175455471

IUPAC3-(2,6-dimethylphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1cccc(C)c1-c1noc(C)c1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H17F3N2O2/c1-11-6-4-7-12(2)16(11)18-17(13(3)27-25-18)19(26)24-15-9-5-8-14(10-15)20(21,22)23/h4-10H,1-3H3,(H,24,26)
InChIKeyFDGANCXKYUKFTD-UHFFFAOYSA-N
MW374.36 g/mol
LogP5.54
Rot. Bonds3

About 3-(2,6-dimethylphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide

3-(2,6-dimethylphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 175455471) has the molecular formula C20H17F3N2O2 and a molecular weight of 374.36 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID175455471
Molecular FormulaC20H17F3N2O2
Molecular Weight374.36 g/mol
Exact Mass374.12
IUPAC Name3-(2,6-dimethylphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1cccc(C)c1-c1noc(C)c1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H17F3N2O2/c1-11-6-4-7-12(2)16(11)18-17(13(3)27-25-18)19(26)24-15-9-5-8-14(10-15)20(21,22)23/h4-10H,1-3H3,(H,24,26)
InChIKeyFDGANCXKYUKFTD-UHFFFAOYSA-N
XLogP5.54
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.36
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2,6-dimethylphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide (CID 175455471) is 3-(2,6-dimethylphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2,6-dimethylphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide is Cc1cccc(C)c1-c1noc(C)c1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(2,6-dimethylphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is FDGANCXKYUKFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O2/c1-11-6-4-7-12(2)16(11)18-17(13(3)27-25-18)19(26)24-15-9-5-8-14(10-15)20(21,22)23/h4-10H,1-3H3,(H,24,26).
What are the key properties of 3-(2,6-dimethylphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide?
3-(2,6-dimethylphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 374.36 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 175455471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).