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

C17H14ClN3O2 — CID 8608540

IUPAC4-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1ccc(C)c(-c2nnc(NC(=O)c3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C17H14ClN3O2/c1-10-3-4-11(2)14(9-10)16-20-21-17(23-16)19-15(22)12-5-7-13(18)8-6-12/h3-9H,1-2H3,(H,19,21,22)
InChIKeyCBHZDQLVBMCLJN-UHFFFAOYSA-N
MW327.77 g/mol
LogP4.26
Rot. Bonds3

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

4-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 8608540) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is 4-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID8608540
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC Name4-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1ccc(C)c(-c2nnc(NC(=O)c3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C17H14ClN3O2/c1-10-3-4-11(2)14(9-10)16-20-21-17(23-16)19-15(22)12-5-7-13(18)8-6-12/h3-9H,1-2H3,(H,19,21,22)
InChIKeyCBHZDQLVBMCLJN-UHFFFAOYSA-N
XLogP4.26
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 54.26
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]-4-ethylsulfanylbenzamide
CID 41044404
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3,4-dimethoxybenzamide
CID 7533252
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]-3-fluorobenzamide
CID 7533241
2-(4-chlorophenyl)sulfonyl-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 7543966
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
CID 7533286
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-methylpyrazole-3-carboxamide
CID 45284717
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxybenzamide
CID 16821846
4-[cyclopentyl(methyl)sulfamoyl]-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 18584070
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
CID 43972075
3-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 16821831
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2,4-dimethylbenzamide
CID 8608535

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 8608540) is 4-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is Cc1ccc(C)c(-c2nnc(NC(=O)c3ccc(Cl)cc3)o2)c1.
What is the InChIKey of 4-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is CBHZDQLVBMCLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c1-10-3-4-11(2)14(9-10)16-20-21-17(23-16)19-15(22)12-5-7-13(18)8-6-12/h3-9H,1-2H3,(H,19,21,22).
What are the key properties of 4-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 327.77 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 8608540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).