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

C19H18ClN3O2 — CID 110321629

IUPACN-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCc2nnc(-c3ccc(Cl)cc3)o2)cc1C
InChIInChI=1S/C19H18ClN3O2/c1-12-3-4-15(11-13(12)2)18(24)21-10-9-17-22-23-19(25-17)14-5-7-16(20)8-6-14/h3-8,11H,9-10H2,1-2H3,(H,21,24)
InChIKeyPUPVSKWSJNDICG-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.98
Rot. Bonds5

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

N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-dimethylbenzamide (PubChem CID 110321629) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-dimethylbenzamide
PubChem CID110321629
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC NameN-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCc2nnc(-c3ccc(Cl)cc3)o2)cc1C
InChIInChI=1S/C19H18ClN3O2/c1-12-3-4-15(11-13(12)2)18(24)21-10-9-17-22-23-19(25-17)14-5-7-16(20)8-6-14/h3-8,11H,9-10H2,1-2H3,(H,21,24)
InChIKeyPUPVSKWSJNDICG-UHFFFAOYSA-N
XLogP3.98
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 110368440
3,4-difluoro-N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321955
1-(4-chlorophenyl)-3-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]urea
CID 110321438
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylbenzamide
CID 110319780
N-[2-(4-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 52906306
2,3,4-trifluoro-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321450
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-[(4-chlorobenzoyl)amino]propanoate
CID 30518885
N-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-difluorobenzamide
CID 110321560
[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 166183592
4-tert-butyl-N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321928
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885049
4-bromo-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319786

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-dimethylbenzamide (CID 110321629) is N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCCc2nnc(-c3ccc(Cl)cc3)o2)cc1C.
What is the InChIKey of N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-dimethylbenzamide?
The InChIKey is PUPVSKWSJNDICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-12-3-4-15(11-13(12)2)18(24)21-10-9-17-22-23-19(25-17)14-5-7-16(20)8-6-14/h3-8,11H,9-10H2,1-2H3,(H,21,24).
What are the key properties of N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-dimethylbenzamide?
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-dimethylbenzamide has a molecular weight of 355.83 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 110321629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).