methyl 2-[5-[4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]phenyl]tetrazol-1-yl]acetate

C14H14N8O4 — CID 15007346

IUPACmethyl 2-[5-[4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]phenyl]tetrazol-1-yl]acetate
SMILESCOC(=O)Cn1nnnc1-c1ccc(-c2nnnn2CC(=O)OC)cc1
InChIInChI=1S/C14H14N8O4/c1-25-11(23)7-21-13(15-17-19-21)9-3-5-10(6-4-9)14-16-18-20-22(14)8-12(24)26-2/h3-6H,7-8H2,1-2H3
InChIKeySNAQVEIAFGTQNV-UHFFFAOYSA-N
MW358.32 g/mol
LogP-0.66
Rot. Bonds6

About methyl 2-[5-[4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]phenyl]tetrazol-1-yl]acetate

methyl 2-[5-[4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]phenyl]tetrazol-1-yl]acetate (PubChem CID 15007346) has the molecular formula C14H14N8O4 and a molecular weight of 358.32 g/mol. Its IUPAC name is methyl 2-[5-[4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]phenyl]tetrazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]phenyl]tetrazol-1-yl]acetate
PubChem CID15007346
Molecular FormulaC14H14N8O4
Molecular Weight358.32 g/mol
Exact Mass358.11
IUPAC Namemethyl 2-[5-[4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]phenyl]tetrazol-1-yl]acetate
SMILESCOC(=O)Cn1nnnc1-c1ccc(-c2nnnn2CC(=O)OC)cc1
InChIInChI=1S/C14H14N8O4/c1-25-11(23)7-21-13(15-17-19-21)9-3-5-10(6-4-9)14-16-18-20-22(14)8-12(24)26-2/h3-6H,7-8H2,1-2H3
InChIKeySNAQVEIAFGTQNV-UHFFFAOYSA-N
XLogP-0.66
TPSA139.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.32
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze methyl 2-[5-[4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]phenyl]tetrazol-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

methyl 2-[5-(3,5-dimethylphenyl)tetrazol-1-yl]acetate
CID 22400939
2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-methylacetamide
CID 9421680
2-[5-(4-bromophenyl)tetrazol-1-yl]-N-methylacetamide
CID 9421929
2-[5-(4-hydroxyphenyl)tetrazol-1-yl]acetic acid
CID 135761962
2-[5-(4-ethylphenyl)tetrazol-1-yl]acetic acid
CID 66008884
2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 9421161
2-[5-(4-bromophenyl)tetrazol-1-yl]-1-(4-methoxyphenyl)ethanone
CID 9421908
N-(2-methoxyphenyl)-2-(5-phenyltetrazol-1-yl)acetamide
CID 9419704
N-[4-[2-[5-(4-methylphenyl)tetrazol-1-yl]acetyl]phenyl]acetamide
CID 9421405
N,N-dimethyl-2-(5-phenyltetrazol-1-yl)acetamide
CID 9419682
2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 9421475
3-[5-(4-methoxyphenyl)tetrazol-1-yl]-2-methylpropanoic acid
CID 66045094

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]phenyl]tetrazol-1-yl]acetate?
The IUPAC name of methyl 2-[5-[4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]phenyl]tetrazol-1-yl]acetate (CID 15007346) is methyl 2-[5-[4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]phenyl]tetrazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[5-[4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]phenyl]tetrazol-1-yl]acetate?
The canonical SMILES for methyl 2-[5-[4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]phenyl]tetrazol-1-yl]acetate is COC(=O)Cn1nnnc1-c1ccc(-c2nnnn2CC(=O)OC)cc1.
What is the InChIKey of methyl 2-[5-[4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]phenyl]tetrazol-1-yl]acetate?
The InChIKey is SNAQVEIAFGTQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N8O4/c1-25-11(23)7-21-13(15-17-19-21)9-3-5-10(6-4-9)14-16-18-20-22(14)8-12(24)26-2/h3-6H,7-8H2,1-2H3.
What are the key properties of methyl 2-[5-[4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]phenyl]tetrazol-1-yl]acetate?
methyl 2-[5-[4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]phenyl]tetrazol-1-yl]acetate has a molecular weight of 358.32 g/mol, XLogP of -0.66, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]phenyl]tetrazol-1-yl]acetate is sourced from PubChem (CID 15007346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).