[2-(4-chloroanilino)-2-oxoethyl]-methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azanium

C13H16ClN4O2+ — CID 8815746

IUPAC[2-(4-chloroanilino)-2-oxoethyl]-methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azanium
SMILESCc1nnc(C[NH+](C)CC(=O)Nc2ccc(Cl)cc2)o1
InChIInChI=1S/C13H15ClN4O2/c1-9-16-17-13(20-9)8-18(2)7-12(19)15-11-5-3-10(14)4-6-11/h3-6H,7-8H2,1-2H3,(H,15,19)/p+1
InChIKeyMEEYEPKWMCUZIG-UHFFFAOYSA-O
MW295.75 g/mol
LogP0.68
Rot. Bonds5

About [2-(4-chloroanilino)-2-oxoethyl]-methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azanium

[2-(4-chloroanilino)-2-oxoethyl]-methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azanium (PubChem CID 8815746) has the molecular formula C13H16ClN4O2+ and a molecular weight of 295.75 g/mol. Its IUPAC name is [2-(4-chloroanilino)-2-oxoethyl]-methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azanium.

Molecular Properties

Compound Name[2-(4-chloroanilino)-2-oxoethyl]-methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azanium
PubChem CID8815746
Molecular FormulaC13H16ClN4O2+
Molecular Weight295.75 g/mol
Exact Mass295.10
IUPAC Name[2-(4-chloroanilino)-2-oxoethyl]-methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azanium
SMILESCc1nnc(C[NH+](C)CC(=O)Nc2ccc(Cl)cc2)o1
InChIInChI=1S/C13H15ClN4O2/c1-9-16-17-13(20-9)8-18(2)7-12(19)15-11-5-3-10(14)4-6-11/h3-6H,7-8H2,1-2H3,(H,15,19)/p+1
InChIKeyMEEYEPKWMCUZIG-UHFFFAOYSA-O
XLogP0.68
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(4-chloroanilino)-2-oxoethyl]-methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9223729
[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 9254483
[2-(4-chloroanilino)-2-oxoethyl]-[(4-cyanophenyl)methyl]-methylazanium
CID 9166886
[2-(4-chloroanilino)-2-oxoethyl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium
CID 9197307
[2-(4-chloroanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium
CID 8961750
[2-(4-chloroanilino)-2-oxoethyl]-[(2-methoxy-5-methylphenyl)methyl]-methylazanium
CID 9040057
1,3-benzodioxol-5-ylmethyl-[2-(4-chloroanilino)-2-oxoethyl]-methylazanium
CID 8745956
(3,4-dichlorophenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 2714126
[2-(4-chloroanilino)-2-oxoethyl]-[(2-chloroquinolin-3-yl)methyl]-methylazanium
CID 9348112
[2-(4-chloroanilino)-2-oxoethyl]-methyl-[2-(4-methylphenoxy)ethyl]azanium
CID 9166416
[2-(2-bromo-4-methylanilino)-2-oxoethyl]-[2-(4-chloroanilino)-2-oxoethyl]-methylazanium
CID 2699212
[2-(4-chloroanilino)-2-oxoethyl]-methyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
CID 9254821

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloroanilino)-2-oxoethyl]-methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azanium?
The IUPAC name of [2-(4-chloroanilino)-2-oxoethyl]-methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azanium (CID 8815746) is [2-(4-chloroanilino)-2-oxoethyl]-methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azanium.
What is the SMILES notation for [2-(4-chloroanilino)-2-oxoethyl]-methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azanium?
The canonical SMILES for [2-(4-chloroanilino)-2-oxoethyl]-methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azanium is Cc1nnc(C[NH+](C)CC(=O)Nc2ccc(Cl)cc2)o1.
What is the InChIKey of [2-(4-chloroanilino)-2-oxoethyl]-methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azanium?
The InChIKey is MEEYEPKWMCUZIG-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H15ClN4O2/c1-9-16-17-13(20-9)8-18(2)7-12(19)15-11-5-3-10(14)4-6-11/h3-6H,7-8H2,1-2H3,(H,15,19)/p+1.
What are the key properties of [2-(4-chloroanilino)-2-oxoethyl]-methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azanium?
[2-(4-chloroanilino)-2-oxoethyl]-methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azanium has a molecular weight of 295.75 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloroanilino)-2-oxoethyl]-methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]azanium is sourced from PubChem (CID 8815746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).