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

C17H14FN3O2 — CID 7655505

IUPACN-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide
SMILESCc1ccc(-c2nnc(NC(=O)c3ccc(F)cc3)o2)cc1C
InChIInChI=1S/C17H14FN3O2/c1-10-3-4-13(9-11(10)2)16-20-21-17(23-16)19-15(22)12-5-7-14(18)8-6-12/h3-9H,1-2H3,(H,19,21,22)
InChIKeyLESSLKODKUVRSZ-UHFFFAOYSA-N
MW311.32 g/mol
LogP3.74
Rot. Bonds3

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

N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide (PubChem CID 7655505) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide
PubChem CID7655505
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC NameN-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide
SMILESCc1ccc(-c2nnc(NC(=O)c3ccc(F)cc3)o2)cc1C
InChIInChI=1S/C17H14FN3O2/c1-10-3-4-13(9-11(10)2)16-20-21-17(23-16)19-15(22)12-5-7-14(18)8-6-12/h3-9H,1-2H3,(H,19,21,22)
InChIKeyLESSLKODKUVRSZ-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]-3,4-dimethylbenzamide
CID 43971837
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide
CID 4638672
N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-fluorophenyl)sulfanylbutanamide
CID 41272121
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenoxy)benzamide
CID 155302345
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylquinoline-6-carboxamide
CID 4278738
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
CID 43972075
4-fluoro-N-[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 92686369
3,4,5-triethoxy-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3522706
2,5-dichloro-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide
CID 16823622
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 43971804
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16831180
4-bromo-N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16821866

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide?
The IUPAC name of N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide (CID 7655505) is N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide?
The canonical SMILES for N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide is Cc1ccc(-c2nnc(NC(=O)c3ccc(F)cc3)o2)cc1C.
What is the InChIKey of N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide?
The InChIKey is LESSLKODKUVRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-10-3-4-13(9-11(10)2)16-20-21-17(23-16)19-15(22)12-5-7-14(18)8-6-12/h3-9H,1-2H3,(H,19,21,22).
What are the key properties of N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide?
N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-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-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 7655505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).