(1-propyltetrazol-5-yl)methyl oxane-4-carboxylate

C11H18N4O3 — CID 55402800

IUPAC(1-propyltetrazol-5-yl)methyl oxane-4-carboxylate
SMILESCCCn1nnnc1COC(=O)C1CCOCC1
InChIInChI=1S/C11H18N4O3/c1-2-5-15-10(12-13-14-15)8-18-11(16)9-3-6-17-7-4-9/h9H,2-8H2,1H3
InChIKeyLNMNLEZUCGAKQN-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.55
Rot. Bonds5

About (1-propyltetrazol-5-yl)methyl oxane-4-carboxylate

(1-propyltetrazol-5-yl)methyl oxane-4-carboxylate (PubChem CID 55402800) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is (1-propyltetrazol-5-yl)methyl oxane-4-carboxylate.

Molecular Properties

Compound Name(1-propyltetrazol-5-yl)methyl oxane-4-carboxylate
PubChem CID55402800
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name(1-propyltetrazol-5-yl)methyl oxane-4-carboxylate
SMILESCCCn1nnnc1COC(=O)C1CCOCC1
InChIInChI=1S/C11H18N4O3/c1-2-5-15-10(12-13-14-15)8-18-11(16)9-3-6-17-7-4-9/h9H,2-8H2,1H3
InChIKeyLNMNLEZUCGAKQN-UHFFFAOYSA-N
XLogP0.55
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.55
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 oxane-4-carboxylate?
The IUPAC name of (1-propyltetrazol-5-yl)methyl oxane-4-carboxylate (CID 55402800) is (1-propyltetrazol-5-yl)methyl oxane-4-carboxylate.
What is the SMILES notation for (1-propyltetrazol-5-yl)methyl oxane-4-carboxylate?
The canonical SMILES for (1-propyltetrazol-5-yl)methyl oxane-4-carboxylate is CCCn1nnnc1COC(=O)C1CCOCC1.
What is the InChIKey of (1-propyltetrazol-5-yl)methyl oxane-4-carboxylate?
The InChIKey is LNMNLEZUCGAKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-2-5-15-10(12-13-14-15)8-18-11(16)9-3-6-17-7-4-9/h9H,2-8H2,1H3.
What are the key properties of (1-propyltetrazol-5-yl)methyl oxane-4-carboxylate?
(1-propyltetrazol-5-yl)methyl oxane-4-carboxylate has a molecular weight of 254.29 g/mol, XLogP of 0.55, 5 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 oxane-4-carboxylate is sourced from PubChem (CID 55402800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).