(1-propyltetrazol-5-yl)methyl 2-phenoxyacetate

C13H16N4O3 — CID 55397419

IUPAC(1-propyltetrazol-5-yl)methyl 2-phenoxyacetate
SMILESCCCn1nnnc1COC(=O)COc1ccccc1
InChIInChI=1S/C13H16N4O3/c1-2-8-17-12(14-15-16-17)9-20-13(18)10-19-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
InChIKeyCFFLNKVWQMJGFR-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.21
Rot. Bonds7

About (1-propyltetrazol-5-yl)methyl 2-phenoxyacetate

(1-propyltetrazol-5-yl)methyl 2-phenoxyacetate (PubChem CID 55397419) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is (1-propyltetrazol-5-yl)methyl 2-phenoxyacetate.

Molecular Properties

Compound Name(1-propyltetrazol-5-yl)methyl 2-phenoxyacetate
PubChem CID55397419
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name(1-propyltetrazol-5-yl)methyl 2-phenoxyacetate
SMILESCCCn1nnnc1COC(=O)COc1ccccc1
InChIInChI=1S/C13H16N4O3/c1-2-8-17-12(14-15-16-17)9-20-13(18)10-19-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
InChIKeyCFFLNKVWQMJGFR-UHFFFAOYSA-N
XLogP1.21
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(1-propyltetrazol-5-yl)methyl 2-(4-propan-2-ylphenoxy)acetate
CID 55402641
(1-propyltetrazol-5-yl)methyl 2-(2,6-dimethylphenoxy)acetate
CID 55400541
(1-propyltetrazol-5-yl)methyl 4-(4-methoxyphenoxy)butanoate
CID 55402770
(1-butyltetrazol-5-yl)methyl 2-(2-benzylphenoxy)acetate
CID 55390176
(1-propyltetrazol-5-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate
CID 9405619
(1-propyltetrazol-5-yl)methyl anthracene-9-carboxylate
CID 9231186
(1-propyltetrazol-5-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 18204568
(1-propyltetrazol-5-yl)methyl 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate
CID 55476826
(1-propyltetrazol-5-yl)methyl furan-3-carboxylate
CID 55463280
(1-propyltetrazol-5-yl)methyl 4-(5-methylthiophen-2-yl)-4-oxobutanoate
CID 55401563
(1-propyltetrazol-5-yl)methyl 3-cyclopentylpropanoate
CID 55397176
(1-propyltetrazol-5-yl)methyl 4-(dimethylamino)benzoate
CID 55397270

Frequently Asked Questions

What is the IUPAC name of (1-propyltetrazol-5-yl)methyl 2-phenoxyacetate?
The IUPAC name of (1-propyltetrazol-5-yl)methyl 2-phenoxyacetate (CID 55397419) is (1-propyltetrazol-5-yl)methyl 2-phenoxyacetate.
What is the SMILES notation for (1-propyltetrazol-5-yl)methyl 2-phenoxyacetate?
The canonical SMILES for (1-propyltetrazol-5-yl)methyl 2-phenoxyacetate is CCCn1nnnc1COC(=O)COc1ccccc1.
What is the InChIKey of (1-propyltetrazol-5-yl)methyl 2-phenoxyacetate?
The InChIKey is CFFLNKVWQMJGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-2-8-17-12(14-15-16-17)9-20-13(18)10-19-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3.
What are the key properties of (1-propyltetrazol-5-yl)methyl 2-phenoxyacetate?
(1-propyltetrazol-5-yl)methyl 2-phenoxyacetate has a molecular weight of 276.30 g/mol, XLogP of 1.21, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propyltetrazol-5-yl)methyl 2-phenoxyacetate is sourced from PubChem (CID 55397419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).