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

C14H9F3N4O3 — CID 43972322

IUPAC5-methyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nnc(-c3ccc(C(F)(F)F)cc3)o2)no1
InChIInChI=1S/C14H9F3N4O3/c1-7-6-10(21-24-7)11(22)18-13-20-19-12(23-13)8-2-4-9(5-3-8)14(15,16)17/h2-6H,1H3,(H,18,20,22)
InChIKeyDSNDGTQTWMEGGV-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.30
Rot. Bonds3

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

5-methyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 43972322) has the molecular formula C14H9F3N4O3 and a molecular weight of 338.25 g/mol. Its IUPAC name is 5-methyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID43972322
Molecular FormulaC14H9F3N4O3
Molecular Weight338.25 g/mol
Exact Mass338.06
IUPAC Name5-methyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nnc(-c3ccc(C(F)(F)F)cc3)o2)no1
InChIInChI=1S/C14H9F3N4O3/c1-7-6-10(21-24-7)11(22)18-13-20-19-12(23-13)8-2-4-9(5-3-8)14(15,16)17/h2-6H,1H3,(H,18,20,22)
InChIKeyDSNDGTQTWMEGGV-UHFFFAOYSA-N
XLogP3.30
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 16854864
4-chloro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972349
1,4-dimethyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide
CID 43972328
5-methyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 43977835
2-(3,4-dimethylphenyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43972518
4-ethylsulfanyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972474
4-(dimethylsulfamoyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972303
3-methoxy-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 43972444
N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethylsulfanyl)benzamide
CID 155239262
2-(4-methoxyphenoxy)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43972336
2-(4-methoxyphenyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43972505
2-ethylsulfanyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972468

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide (CID 43972322) is 5-methyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2nnc(-c3ccc(C(F)(F)F)cc3)o2)no1.
What is the InChIKey of 5-methyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is DSNDGTQTWMEGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4O3/c1-7-6-10(21-24-7)11(22)18-13-20-19-12(23-13)8-2-4-9(5-3-8)14(15,16)17/h2-6H,1H3,(H,18,20,22).
What are the key properties of 5-methyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 338.25 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 43972322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).