cyclobutyl 2-[4-(5-methyltetrazol-5-yl)phenyl]acetate

C14H16N4O2 — CID 70082946

IUPACcyclobutyl 2-[4-(5-methyltetrazol-5-yl)phenyl]acetate
SMILESCC1(c2ccc(CC(=O)OC3CCC3)cc2)N=NN=N1
InChIInChI=1S/C14H16N4O2/c1-14(15-17-18-16-14)11-7-5-10(6-8-11)9-13(19)20-12-3-2-4-12/h5-8,12H,2-4,9H2,1H3
InChIKeyVNGYYVPOBUWYRL-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.33
Rot. Bonds4

About cyclobutyl 2-[4-(5-methyltetrazol-5-yl)phenyl]acetate

cyclobutyl 2-[4-(5-methyltetrazol-5-yl)phenyl]acetate (PubChem CID 70082946) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is cyclobutyl 2-[4-(5-methyltetrazol-5-yl)phenyl]acetate.

Molecular Properties

Compound Namecyclobutyl 2-[4-(5-methyltetrazol-5-yl)phenyl]acetate
PubChem CID70082946
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Namecyclobutyl 2-[4-(5-methyltetrazol-5-yl)phenyl]acetate
SMILESCC1(c2ccc(CC(=O)OC3CCC3)cc2)N=NN=N1
InChIInChI=1S/C14H16N4O2/c1-14(15-17-18-16-14)11-7-5-10(6-8-11)9-13(19)20-12-3-2-4-12/h5-8,12H,2-4,9H2,1H3
InChIKeyVNGYYVPOBUWYRL-UHFFFAOYSA-N
XLogP3.33
TPSA75.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze cyclobutyl 2-[4-(5-methyltetrazol-5-yl)phenyl]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclobutyl 2-[4-(5-methyltetrazol-5-yl)phenyl]acetate?
The IUPAC name of cyclobutyl 2-[4-(5-methyltetrazol-5-yl)phenyl]acetate (CID 70082946) is cyclobutyl 2-[4-(5-methyltetrazol-5-yl)phenyl]acetate.
What is the SMILES notation for cyclobutyl 2-[4-(5-methyltetrazol-5-yl)phenyl]acetate?
The canonical SMILES for cyclobutyl 2-[4-(5-methyltetrazol-5-yl)phenyl]acetate is CC1(c2ccc(CC(=O)OC3CCC3)cc2)N=NN=N1.
What is the InChIKey of cyclobutyl 2-[4-(5-methyltetrazol-5-yl)phenyl]acetate?
The InChIKey is VNGYYVPOBUWYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-14(15-17-18-16-14)11-7-5-10(6-8-11)9-13(19)20-12-3-2-4-12/h5-8,12H,2-4,9H2,1H3.
What are the key properties of cyclobutyl 2-[4-(5-methyltetrazol-5-yl)phenyl]acetate?
cyclobutyl 2-[4-(5-methyltetrazol-5-yl)phenyl]acetate has a molecular weight of 272.31 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl 2-[4-(5-methyltetrazol-5-yl)phenyl]acetate is sourced from PubChem (CID 70082946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).