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

C16H10F3N3O2 — CID 170341324

IUPACN-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2cccc(C(F)(F)F)c2)o1)c1ccccc1
InChIInChI=1S/C16H10F3N3O2/c17-16(18,19)12-8-4-7-11(9-12)14-21-22-15(24-14)20-13(23)10-5-2-1-3-6-10/h1-9H,(H,20,22,23)
InChIKeyMHSWLUNSARWAHF-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.01
Rot. Bonds3

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

N-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 170341324) has the molecular formula C16H10F3N3O2 and a molecular weight of 333.27 g/mol. Its IUPAC name is N-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID170341324
Molecular FormulaC16H10F3N3O2
Molecular Weight333.27 g/mol
Exact Mass333.07
IUPAC NameN-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2cccc(C(F)(F)F)c2)o1)c1ccccc1
InChIInChI=1S/C16H10F3N3O2/c17-16(18,19)12-8-4-7-11(9-12)14-21-22-15(24-14)20-13(23)10-5-2-1-3-6-10/h1-9H,(H,20,22,23)
InChIKeyMHSWLUNSARWAHF-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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Related Compounds

N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 3292510
3-(trifluoromethyl)-N-[5-[3-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 177345180
N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethylsulfanyl)benzamide
CID 155239262
N-[5-[3-[3-[(dimethylamino)methyl]phenyl]phenyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 177345247
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethoxy)benzamide;N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethoxy)benzamide;4-(trifluoromethoxy)-N-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 167647208
N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16822896
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 43972580
4-chloro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972349
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 43971804
3-bromo-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43971814
4-ethylsulfanyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972474
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide
CID 43976197

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of N-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide (CID 170341324) is N-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for N-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for N-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide is O=C(Nc1nnc(-c2cccc(C(F)(F)F)c2)o1)c1ccccc1.
What is the InChIKey of N-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is MHSWLUNSARWAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O2/c17-16(18,19)12-8-4-7-11(9-12)14-21-22-15(24-14)20-13(23)10-5-2-1-3-6-10/h1-9H,(H,20,22,23).
What are the key properties of N-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide?
N-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]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-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 170341324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).