2-[benzyl(methyl)amino]-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]acetamide

C18H17ClN4O2 — CID 24854250

IUPAC2-[benzyl(methyl)amino]-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCN(CC(=O)Nc1nnc(-c2ccc(Cl)cc2)o1)Cc1ccccc1
InChIInChI=1S/C18H17ClN4O2/c1-23(11-13-5-3-2-4-6-13)12-16(24)20-18-22-21-17(25-18)14-7-9-15(19)10-8-14/h2-10H,11-12H2,1H3,(H,20,22,24)
InChIKeyKFTPYLWCIGXGNB-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.46
Rot. Bonds6

About 2-[benzyl(methyl)amino]-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]acetamide

2-[benzyl(methyl)amino]-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 24854250) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID24854250
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name2-[benzyl(methyl)amino]-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCN(CC(=O)Nc1nnc(-c2ccc(Cl)cc2)o1)Cc1ccccc1
InChIInChI=1S/C18H17ClN4O2/c1-23(11-13-5-3-2-4-6-13)12-16(24)20-18-22-21-17(25-18)14-7-9-15(19)10-8-14/h2-10H,11-12H2,1H3,(H,20,22,24)
InChIKeyKFTPYLWCIGXGNB-UHFFFAOYSA-N
XLogP3.46
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(diethylamino)acetamide
CID 24854246
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 142734015
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 4172136
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-1-ylacetamide
CID 3633508
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-chlorobenzoate
CID 7797205
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethoxyphenyl)acetamide
CID 8719964
2-(4-chlorophenyl)-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43978157
2-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)acetamide
CID 27133915
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide
CID 7254564
N-(4-bromo-2-methylphenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide
CID 31378293
2-(4-chlorophenoxy)-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43977536
4-oxo-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]butanoic acid
CID 91622666

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]acetamide (CID 24854250) is 2-[benzyl(methyl)amino]-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]acetamide is CN(CC(=O)Nc1nnc(-c2ccc(Cl)cc2)o1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is KFTPYLWCIGXGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-23(11-13-5-3-2-4-6-13)12-16(24)20-18-22-21-17(25-18)14-7-9-15(19)10-8-14/h2-10H,11-12H2,1H3,(H,20,22,24).
What are the key properties of 2-[benzyl(methyl)amino]-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]acetamide?
2-[benzyl(methyl)amino]-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 356.81 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 24854250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).