(1-propyltetrazol-5-yl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate

C15H19ClN4O3 — CID 55396975

IUPAC(1-propyltetrazol-5-yl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate
SMILESCCCn1nnnc1COC(=O)C(C)(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN4O3/c1-4-9-20-13(17-18-19-20)10-22-14(21)15(2,3)23-12-7-5-11(16)6-8-12/h5-8H,4,9-10H2,1-3H3
InChIKeyXKHOETYMNPGVAA-UHFFFAOYSA-N
MW338.80 g/mol
LogP2.64
Rot. Bonds7

About (1-propyltetrazol-5-yl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate

(1-propyltetrazol-5-yl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate (PubChem CID 55396975) has the molecular formula C15H19ClN4O3 and a molecular weight of 338.80 g/mol. Its IUPAC name is (1-propyltetrazol-5-yl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate.

Molecular Properties

Compound Name(1-propyltetrazol-5-yl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate
PubChem CID55396975
Molecular FormulaC15H19ClN4O3
Molecular Weight338.80 g/mol
Exact Mass338.11
IUPAC Name(1-propyltetrazol-5-yl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate
SMILESCCCn1nnnc1COC(=O)C(C)(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN4O3/c1-4-9-20-13(17-18-19-20)10-22-14(21)15(2,3)23-12-7-5-11(16)6-8-12/h5-8H,4,9-10H2,1-3H3
InChIKeyXKHOETYMNPGVAA-UHFFFAOYSA-N
XLogP2.64
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1-propyltetrazol-5-yl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate?
The IUPAC name of (1-propyltetrazol-5-yl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate (CID 55396975) is (1-propyltetrazol-5-yl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate.
What is the SMILES notation for (1-propyltetrazol-5-yl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate?
The canonical SMILES for (1-propyltetrazol-5-yl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate is CCCn1nnnc1COC(=O)C(C)(C)Oc1ccc(Cl)cc1.
What is the InChIKey of (1-propyltetrazol-5-yl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate?
The InChIKey is XKHOETYMNPGVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O3/c1-4-9-20-13(17-18-19-20)10-22-14(21)15(2,3)23-12-7-5-11(16)6-8-12/h5-8H,4,9-10H2,1-3H3.
What are the key properties of (1-propyltetrazol-5-yl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate?
(1-propyltetrazol-5-yl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate has a molecular weight of 338.80 g/mol, XLogP of 2.64, 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-(4-chlorophenoxy)-2-methylpropanoate is sourced from PubChem (CID 55396975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).