N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide

C19H18ClN3O2 — CID 41362573

IUPACN-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(CC(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1
InChIInChI=1S/C19H18ClN3O2/c1-12(2)14-9-7-13(8-10-14)11-17(24)21-19-23-22-18(25-19)15-5-3-4-6-16(15)20/h3-10,12H,11H2,1-2H3,(H,21,23,24)
InChIKeyOQZMLTFWSQIIQJ-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.69
Rot. Bonds5

About N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide

N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide (PubChem CID 41362573) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide
PubChem CID41362573
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC NameN-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(CC(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1
InChIInChI=1S/C19H18ClN3O2/c1-12(2)14-9-7-13(8-10-14)11-17(24)21-19-23-22-18(25-19)15-5-3-4-6-16(15)20/h3-10,12H,11H2,1-2H3,(H,21,23,24)
InChIKeyOQZMLTFWSQIIQJ-UHFFFAOYSA-N
XLogP4.69
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 ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenylacetamide
CID 3412636
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 7597311
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 43973064
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 41362560
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylsulfanylpropanamide
CID 5060857
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide
CID 3342651
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide
CID 18576988
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzamide
CID 5154529
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-phenylphenyl)acetamide
CID 43973109
2,5-dichloro-N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3546448
5-(2-chlorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 83884740
2-(2-chlorophenyl)-5-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 30727885

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide (CID 41362573) is N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(CC(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1.
What is the InChIKey of N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide?
The InChIKey is OQZMLTFWSQIIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-12(2)14-9-7-13(8-10-14)11-17(24)21-19-23-22-18(25-19)15-5-3-4-6-16(15)20/h3-10,12H,11H2,1-2H3,(H,21,23,24).
What are the key properties of N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide?
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide has a molecular weight of 355.83 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 41362573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).