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

C16H10F3N3O2 — CID 3409080

IUPACN-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1nnc(-c2ccccc2)o1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H10F3N3O2/c17-16(18,19)12-8-4-7-11(9-12)13(23)20-15-22-21-14(24-15)10-5-2-1-3-6-10/h1-9H,(H,20,22,23)
InChIKeyKDUQPXMXHNBKCG-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.01
Rot. Bonds3

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

N-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)benzamide (PubChem CID 3409080) has the molecular formula C16H10F3N3O2 and a molecular weight of 333.27 g/mol. Its IUPAC name is N-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)benzamide
PubChem CID3409080
Molecular FormulaC16H10F3N3O2
Molecular Weight333.27 g/mol
Exact Mass333.07
IUPAC NameN-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1nnc(-c2ccccc2)o1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H10F3N3O2/c17-16(18,19)12-8-4-7-11(9-12)13(23)20-15-22-21-14(24-15)10-5-2-1-3-6-10/h1-9H,(H,20,22,23)
InChIKeyKDUQPXMXHNBKCG-UHFFFAOYSA-N
XLogP4.01
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)benzamide (CID 3409080) is N-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)benzamide is O=C(Nc1nnc(-c2ccccc2)o1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is KDUQPXMXHNBKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O2/c17-16(18,19)12-8-4-7-11(9-12)13(23)20-15-22-21-14(24-15)10-5-2-1-3-6-10/h1-9H,(H,20,22,23).
What are the key properties of N-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)benzamide?
N-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 333.27 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 3409080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).