ethyl 2-[4-(4-chlorophenyl)-5-oxotetrazol-1-yl]acetate

C11H11ClN4O3 — CID 16750844

IUPACethyl 2-[4-(4-chlorophenyl)-5-oxotetrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nnn(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C11H11ClN4O3/c1-2-19-10(17)7-15-11(18)16(14-13-15)9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3
InChIKeyHWUJMAKGRBIRBD-UHFFFAOYSA-N
MW282.69 g/mol
LogP0.65
Rot. Bonds4

About ethyl 2-[4-(4-chlorophenyl)-5-oxotetrazol-1-yl]acetate

ethyl 2-[4-(4-chlorophenyl)-5-oxotetrazol-1-yl]acetate (PubChem CID 16750844) has the molecular formula C11H11ClN4O3 and a molecular weight of 282.69 g/mol. Its IUPAC name is ethyl 2-[4-(4-chlorophenyl)-5-oxotetrazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(4-chlorophenyl)-5-oxotetrazol-1-yl]acetate
PubChem CID16750844
Molecular FormulaC11H11ClN4O3
Molecular Weight282.69 g/mol
Exact Mass282.05
IUPAC Nameethyl 2-[4-(4-chlorophenyl)-5-oxotetrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nnn(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C11H11ClN4O3/c1-2-19-10(17)7-15-11(18)16(14-13-15)9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3
InChIKeyHWUJMAKGRBIRBD-UHFFFAOYSA-N
XLogP0.65
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[4-(4-chlorophenyl)-5-oxotetrazol-1-yl]acetate 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

ethyl 2-[4-(4-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate
CID 4602133
ethyl 2-[4-(3-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate
CID 4367022
Ethyl 2-[4-(4-chlorophenyl)-5-oxotetrazol-1-yl]propanoate
CID 44423708
Ethyl 2-[2-(3-chlorophenyl)-5-oxopyrazolidin-1-yl]acetate
CID 13012234
1-(4-Chlorophenyl)-4-prop-2-enyltetrazol-5-one
CID 14774802
2-(5-Oxo-4-phenyltetrazol-1-yl)ethyl acetate
CID 122186953
methyl 2-[6-(4-chlorophenyl)-2,5-dioxo-1H-imidazo[1,5-b][1,2,4]triazol-3-yl]acetate
CID 155542524
methyl 2-[6-(3-chlorophenyl)-2,5-dioxo-1H-imidazo[1,5-b][1,2,4]triazol-3-yl]acetate
CID 155559666
Ethyl 2-(3-(3-chlorophenyl)ureido)acetate
CID 3478280
Ethyl 1-(4-chlorophenyl)-2,5-dihydro-5-oxo-1H-1,2,4-triazole-3-carboxylate
CID 135888302
Ethyl 2-[(4-chloro-2-fluorophenyl)carbamoylamino]acetate
CID 19865241
Ethyl 2-(4-chloro-2-fluoroanilino)-2-formamidoacetate
CID 57030907

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(4-chlorophenyl)-5-oxotetrazol-1-yl]acetate?
The IUPAC name of ethyl 2-[4-(4-chlorophenyl)-5-oxotetrazol-1-yl]acetate (CID 16750844) is ethyl 2-[4-(4-chlorophenyl)-5-oxotetrazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(4-chlorophenyl)-5-oxotetrazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-(4-chlorophenyl)-5-oxotetrazol-1-yl]acetate is CCOC(=O)Cn1nnn(-c2ccc(Cl)cc2)c1=O.
What is the InChIKey of ethyl 2-[4-(4-chlorophenyl)-5-oxotetrazol-1-yl]acetate?
The InChIKey is HWUJMAKGRBIRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O3/c1-2-19-10(17)7-15-11(18)16(14-13-15)9-5-3-8(12)4-6-9/h3-6H,2,7H2,1H3.
What are the key properties of ethyl 2-[4-(4-chlorophenyl)-5-oxotetrazol-1-yl]acetate?
ethyl 2-[4-(4-chlorophenyl)-5-oxotetrazol-1-yl]acetate has a molecular weight of 282.69 g/mol, XLogP of 0.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(4-chlorophenyl)-5-oxotetrazol-1-yl]acetate is sourced from PubChem (CID 16750844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).