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

C17H13Cl2N3O2 — CID 43976885

IUPAC3,5-dichloro-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1cc(C)cc(-c2nnc(NC(=O)c3cc(Cl)cc(Cl)c3)o2)c1
InChIInChI=1S/C17H13Cl2N3O2/c1-9-3-10(2)5-12(4-9)16-21-22-17(24-16)20-15(23)11-6-13(18)8-14(19)7-11/h3-8H,1-2H3,(H,20,22,23)
InChIKeyIBOLXFILJKMKRQ-UHFFFAOYSA-N
MW362.22 g/mol
LogP4.91
Rot. Bonds3

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

3,5-dichloro-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 43976885) has the molecular formula C17H13Cl2N3O2 and a molecular weight of 362.22 g/mol. Its IUPAC name is 3,5-dichloro-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID43976885
Molecular FormulaC17H13Cl2N3O2
Molecular Weight362.22 g/mol
Exact Mass361.04
IUPAC Name3,5-dichloro-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCc1cc(C)cc(-c2nnc(NC(=O)c3cc(Cl)cc(Cl)c3)o2)c1
InChIInChI=1S/C17H13Cl2N3O2/c1-9-3-10(2)5-12(4-9)16-21-22-17(24-16)20-15(23)11-6-13(18)8-14(19)7-11/h3-8H,1-2H3,(H,20,22,23)
InChIKeyIBOLXFILJKMKRQ-UHFFFAOYSA-N
XLogP4.91
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide
CID 43976407
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3,4,5-triethoxybenzamide
CID 43976750
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(dimethylamino)benzamide
CID 43976473
3,5-dichloro-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43972024
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 43976406
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3,4-dimethoxybenzamide
CID 43976692
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
CID 43976786
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 43976686
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 43976455
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 43976618
3,5-dichloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3329824
2-(4-chlorophenoxy)-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43976699

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 3,5-dichloro-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 43976885) is 3,5-dichloro-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is Cc1cc(C)cc(-c2nnc(NC(=O)c3cc(Cl)cc(Cl)c3)o2)c1.
What is the InChIKey of 3,5-dichloro-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is IBOLXFILJKMKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O2/c1-9-3-10(2)5-12(4-9)16-21-22-17(24-16)20-15(23)11-6-13(18)8-14(19)7-11/h3-8H,1-2H3,(H,20,22,23).
What are the key properties of 3,5-dichloro-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
3,5-dichloro-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 362.22 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 43976885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).