N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3,4-dimethylbenzamide

C17H14FN3O2 — CID 43971837

IUPACN-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2nnc(-c3cccc(F)c3)o2)cc1C
InChIInChI=1S/C17H14FN3O2/c1-10-6-7-12(8-11(10)2)15(22)19-17-21-20-16(23-17)13-4-3-5-14(18)9-13/h3-9H,1-2H3,(H,19,21,22)
InChIKeyLXJRSIPQWYRXJL-UHFFFAOYSA-N
MW311.32 g/mol
LogP3.74
Rot. Bonds3

About N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3,4-dimethylbenzamide

N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3,4-dimethylbenzamide (PubChem CID 43971837) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3,4-dimethylbenzamide
PubChem CID43971837
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC NameN-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2nnc(-c3cccc(F)c3)o2)cc1C
InChIInChI=1S/C17H14FN3O2/c1-10-6-7-12(8-11(10)2)15(22)19-17-21-20-16(23-17)13-4-3-5-14(18)9-13/h3-9H,1-2H3,(H,19,21,22)
InChIKeyLXJRSIPQWYRXJL-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-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 43971804
N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide
CID 7655505
3-bromo-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43971814
3,5-dichloro-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43972024
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(pentafluoro-λ6-sulfanyl)benzamide
CID 164839580
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide
CID 7533241
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 43971757
N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
CID 16854802
3,4-dimethoxy-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7577972
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3,4-dimethylbenzamide
CID 40957553
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 43976122
4-fluoro-N-[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 92686369

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3,4-dimethylbenzamide?
The IUPAC name of N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3,4-dimethylbenzamide (CID 43971837) is N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2nnc(-c3cccc(F)c3)o2)cc1C.
What is the InChIKey of N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3,4-dimethylbenzamide?
The InChIKey is LXJRSIPQWYRXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-10-6-7-12(8-11(10)2)15(22)19-17-21-20-16(23-17)13-4-3-5-14(18)9-13/h3-9H,1-2H3,(H,19,21,22).
What are the key properties of N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3,4-dimethylbenzamide?
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3,4-dimethylbenzamide 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-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3,4-dimethylbenzamide is sourced from PubChem (CID 43971837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).