2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide

C12H12Cl2N4O2 — CID 47395100

IUPAC2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide
SMILESCN(CC(N)=O)Cc1nnc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C12H12Cl2N4O2/c1-18(5-10(15)19)6-11-16-17-12(20-11)8-3-2-7(13)4-9(8)14/h2-4H,5-6H2,1H3,(H2,15,19)
InChIKeyFHXJMKOYCBOZJL-UHFFFAOYSA-N
MW315.16 g/mol
LogP1.96
Rot. Bonds5

About 2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide

2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide (PubChem CID 47395100) has the molecular formula C12H12Cl2N4O2 and a molecular weight of 315.16 g/mol. Its IUPAC name is 2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide
PubChem CID47395100
Molecular FormulaC12H12Cl2N4O2
Molecular Weight315.16 g/mol
Exact Mass314.03
IUPAC Name2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide
SMILESCN(CC(N)=O)Cc1nnc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C12H12Cl2N4O2/c1-18(5-10(15)19)6-11-16-17-12(20-11)8-3-2-7(13)4-9(8)14/h2-4H,5-6H2,1H3,(H2,15,19)
InChIKeyFHXJMKOYCBOZJL-UHFFFAOYSA-N
XLogP1.96
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.16
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate
CID 60670430
N-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 47521064
2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-(2-methoxyethyl)amino]ethanol
CID 111103173
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 55410713
2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzamide
CID 47499607
(1S)-N-(cyclopropylmethyl)-N-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylethanamine
CID 52835757
1-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidine-3-carboxamide
CID 47524949
N-(2-chlorophenyl)-2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide
CID 9254768
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide
CID 55332629
methyl 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanoate
CID 62013028
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,4-dichlorophenoxy)-N-propylacetamide
CID 55361158
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-2-methylpropanoic acid
CID 62821774

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide?
The IUPAC name of 2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide (CID 47395100) is 2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide.
What is the SMILES notation for 2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide?
The canonical SMILES for 2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide is CN(CC(N)=O)Cc1nnc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide?
The InChIKey is FHXJMKOYCBOZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O2/c1-18(5-10(15)19)6-11-16-17-12(20-11)8-3-2-7(13)4-9(8)14/h2-4H,5-6H2,1H3,(H2,15,19).
What are the key properties of 2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide?
2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide has a molecular weight of 315.16 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide is sourced from PubChem (CID 47395100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).