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

C17H12F3N3O2 — CID 152700052

IUPACN-methyl-N-phenyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCN(C(=O)c1ccc(-c2nnc(C(F)(F)F)o2)cc1)c1ccccc1
InChIInChI=1S/C17H12F3N3O2/c1-23(13-5-3-2-4-6-13)15(24)12-9-7-11(8-10-12)14-21-22-16(25-14)17(18,19)20/h2-10H,1H3
InChIKeyZRJOKBASTQVGPQ-UHFFFAOYSA-N
MW347.30 g/mol
LogP4.03
Rot. Bonds3

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

N-methyl-N-phenyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 152700052) has the molecular formula C17H12F3N3O2 and a molecular weight of 347.30 g/mol. Its IUPAC name is N-methyl-N-phenyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID152700052
Molecular FormulaC17H12F3N3O2
Molecular Weight347.30 g/mol
Exact Mass347.09
IUPAC NameN-methyl-N-phenyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCN(C(=O)c1ccc(-c2nnc(C(F)(F)F)o2)cc1)c1ccccc1
InChIInChI=1S/C17H12F3N3O2/c1-23(13-5-3-2-4-6-13)15(24)12-9-7-11(8-10-12)14-21-22-16(25-14)17(18,19)20/h2-10H,1H3
InChIKeyZRJOKBASTQVGPQ-UHFFFAOYSA-N
XLogP4.03
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of N-methyl-N-phenyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 152700052) is N-methyl-N-phenyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for N-methyl-N-phenyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for N-methyl-N-phenyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide is CN(C(=O)c1ccc(-c2nnc(C(F)(F)F)o2)cc1)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is ZRJOKBASTQVGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2/c1-23(13-5-3-2-4-6-13)15(24)12-9-7-11(8-10-12)14-21-22-16(25-14)17(18,19)20/h2-10H,1H3.
What are the key properties of N-methyl-N-phenyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide?
N-methyl-N-phenyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 347.30 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 152700052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).