(1-propyltetrazol-5-yl)methyl 3-(methoxymethyl)benzoate

C14H18N4O3 — CID 55402390

IUPAC(1-propyltetrazol-5-yl)methyl 3-(methoxymethyl)benzoate
SMILESCCCn1nnnc1COC(=O)c1cccc(COC)c1
InChIInChI=1S/C14H18N4O3/c1-3-7-18-13(15-16-17-18)10-21-14(19)12-6-4-5-11(8-12)9-20-2/h4-6,8H,3,7,9-10H2,1-2H3
InChIKeyVNOYWPLYANYOOK-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.59
Rot. Bonds7

About (1-propyltetrazol-5-yl)methyl 3-(methoxymethyl)benzoate

(1-propyltetrazol-5-yl)methyl 3-(methoxymethyl)benzoate (PubChem CID 55402390) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is (1-propyltetrazol-5-yl)methyl 3-(methoxymethyl)benzoate.

Molecular Properties

Compound Name(1-propyltetrazol-5-yl)methyl 3-(methoxymethyl)benzoate
PubChem CID55402390
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name(1-propyltetrazol-5-yl)methyl 3-(methoxymethyl)benzoate
SMILESCCCn1nnnc1COC(=O)c1cccc(COC)c1
InChIInChI=1S/C14H18N4O3/c1-3-7-18-13(15-16-17-18)10-21-14(19)12-6-4-5-11(8-12)9-20-2/h4-6,8H,3,7,9-10H2,1-2H3
InChIKeyVNOYWPLYANYOOK-UHFFFAOYSA-N
XLogP1.59
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(1-propyltetrazol-5-yl)methyl 3-(dimethylamino)benzoate
CID 55397232
(1-propyltetrazol-5-yl)methyl furan-3-carboxylate
CID 55463280
(1-propyltetrazol-5-yl)methyl 4-butoxy-3-methoxybenzoate
CID 55398660
(1-butyltetrazol-5-yl)methyl 3-(ethylsulfamoyl)benzoate
CID 30764204
(1-propyltetrazol-5-yl)methyl 4-(dimethylamino)benzoate
CID 55397270
(1-propyltetrazol-5-yl)methyl 2,3-dimethoxybenzoate
CID 9203407
propyl 3-(methoxymethyl)benzoate
CID 78846700
(1-propyltetrazol-5-yl)methyl anthracene-9-carboxylate
CID 9231186
(1-propyltetrazol-5-yl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 55399460
(1-propyltetrazol-5-yl)methyl 2,4,6-trimethylbenzoate
CID 55399432
(1-propyltetrazol-5-yl)methyl 5-fluoro-2-methylbenzoate
CID 55472995
(1-propyltetrazol-5-yl)methyl 9,10-dioxoanthracene-1-carboxylate
CID 9019943

Frequently Asked Questions

What is the IUPAC name of (1-propyltetrazol-5-yl)methyl 3-(methoxymethyl)benzoate?
The IUPAC name of (1-propyltetrazol-5-yl)methyl 3-(methoxymethyl)benzoate (CID 55402390) is (1-propyltetrazol-5-yl)methyl 3-(methoxymethyl)benzoate.
What is the SMILES notation for (1-propyltetrazol-5-yl)methyl 3-(methoxymethyl)benzoate?
The canonical SMILES for (1-propyltetrazol-5-yl)methyl 3-(methoxymethyl)benzoate is CCCn1nnnc1COC(=O)c1cccc(COC)c1.
What is the InChIKey of (1-propyltetrazol-5-yl)methyl 3-(methoxymethyl)benzoate?
The InChIKey is VNOYWPLYANYOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-3-7-18-13(15-16-17-18)10-21-14(19)12-6-4-5-11(8-12)9-20-2/h4-6,8H,3,7,9-10H2,1-2H3.
What are the key properties of (1-propyltetrazol-5-yl)methyl 3-(methoxymethyl)benzoate?
(1-propyltetrazol-5-yl)methyl 3-(methoxymethyl)benzoate has a molecular weight of 290.32 g/mol, XLogP of 1.59, 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 3-(methoxymethyl)benzoate is sourced from PubChem (CID 55402390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).