N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide

C17H14FN3O2 — CID 7533241

IUPACN-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide
SMILESCc1ccc(C)c(-c2nnc(NC(=O)c3cccc(F)c3)o2)c1
InChIInChI=1S/C17H14FN3O2/c1-10-6-7-11(2)14(8-10)16-20-21-17(23-16)19-15(22)12-4-3-5-13(18)9-12/h3-9H,1-2H3,(H,19,21,22)
InChIKeyJZHPHMPARIHGIX-UHFFFAOYSA-N
MW311.32 g/mol
LogP3.74
Rot. Bonds3

About N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide

N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide (PubChem CID 7533241) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide
PubChem CID7533241
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC NameN-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide
SMILESCc1ccc(C)c(-c2nnc(NC(=O)c3cccc(F)c3)o2)c1
InChIInChI=1S/C17H14FN3O2/c1-10-6-7-11(2)14(8-10)16-20-21-17(23-16)19-15(22)12-4-3-5-13(18)9-12/h3-9H,1-2H3,(H,19,21,22)
InChIKeyJZHPHMPARIHGIX-UHFFFAOYSA-N
XLogP3.74
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxybenzamide
CID 16821846
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 121042003
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 43971804
4-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 8608540
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3,4-dimethoxybenzamide
CID 7533252
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3,4-dimethylbenzamide
CID 43971837
3-fluoro-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7578150
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
CID 7533286
2-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7244080
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-ethylsulfanylbenzamide
CID 41044404
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
CID 43972075
N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide
CID 42110849

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide?
The IUPAC name of N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide (CID 7533241) is N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide?
The canonical SMILES for N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide is Cc1ccc(C)c(-c2nnc(NC(=O)c3cccc(F)c3)o2)c1.
What is the InChIKey of N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide?
The InChIKey is JZHPHMPARIHGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-10-6-7-11(2)14(8-10)16-20-21-17(23-16)19-15(22)12-4-3-5-13(18)9-12/h3-9H,1-2H3,(H,19,21,22).
What are the key properties of N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide?
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide has a molecular weight of 311.32 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide is sourced from PubChem (CID 7533241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).