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

C17H14ClN3O2 — CID 7244081

IUPAC3-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1ccc(C)c(-c2nnc(NC(=O)c3cccc(Cl)c3)o2)c1
InChIInChI=1S/C17H14ClN3O2/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)
InChIKeyDCAUSQSZXRFKEB-UHFFFAOYSA-N
MW327.77 g/mol
LogP4.26
Rot. Bonds3

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

3-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 7244081) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is 3-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID7244081
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC Name3-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1ccc(C)c(-c2nnc(NC(=O)c3cccc(Cl)c3)o2)c1
InChIInChI=1S/C17H14ClN3O2/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)
InChIKeyDCAUSQSZXRFKEB-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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 3-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 7244081) is 3-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 3-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is Cc1ccc(C)c(-c2nnc(NC(=O)c3cccc(Cl)c3)o2)c1.
What is the InChIKey of 3-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is DCAUSQSZXRFKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/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 3-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
3-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 3-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 7244081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).