9-[1-(4-methylphenyl)tetrazol-5-yl]-6-oxa-9-azaspiro[4.5]decane

C16H21N5O — CID 71968531

IUPAC9-[1-(4-methylphenyl)tetrazol-5-yl]-6-oxa-9-azaspiro[4.5]decane
SMILESCc1ccc(-n2nnnc2N2CCOC3(CCCC3)C2)cc1
InChIInChI=1S/C16H21N5O/c1-13-4-6-14(7-5-13)21-15(17-18-19-21)20-10-11-22-16(12-20)8-2-3-9-16/h4-7H,2-3,8-12H2,1H3
InChIKeyZCHRKGPQGZPTJP-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.12
Rot. Bonds2

About 9-[1-(4-methylphenyl)tetrazol-5-yl]-6-oxa-9-azaspiro[4.5]decane

9-[1-(4-methylphenyl)tetrazol-5-yl]-6-oxa-9-azaspiro[4.5]decane (PubChem CID 71968531) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 9-[1-(4-methylphenyl)tetrazol-5-yl]-6-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-[1-(4-methylphenyl)tetrazol-5-yl]-6-oxa-9-azaspiro[4.5]decane
PubChem CID71968531
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name9-[1-(4-methylphenyl)tetrazol-5-yl]-6-oxa-9-azaspiro[4.5]decane
SMILESCc1ccc(-n2nnnc2N2CCOC3(CCCC3)C2)cc1
InChIInChI=1S/C16H21N5O/c1-13-4-6-14(7-5-13)21-15(17-18-19-21)20-10-11-22-16(12-20)8-2-3-9-16/h4-7H,2-3,8-12H2,1H3
InChIKeyZCHRKGPQGZPTJP-UHFFFAOYSA-N
XLogP2.12
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-[1-(4-methylphenyl)tetrazol-5-yl]-6-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-[1-(4-methylphenyl)tetrazol-5-yl]-6-oxa-9-azaspiro[4.5]decane (CID 71968531) is 9-[1-(4-methylphenyl)tetrazol-5-yl]-6-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-[1-(4-methylphenyl)tetrazol-5-yl]-6-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-[1-(4-methylphenyl)tetrazol-5-yl]-6-oxa-9-azaspiro[4.5]decane is Cc1ccc(-n2nnnc2N2CCOC3(CCCC3)C2)cc1.
What is the InChIKey of 9-[1-(4-methylphenyl)tetrazol-5-yl]-6-oxa-9-azaspiro[4.5]decane?
The InChIKey is ZCHRKGPQGZPTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-13-4-6-14(7-5-13)21-15(17-18-19-21)20-10-11-22-16(12-20)8-2-3-9-16/h4-7H,2-3,8-12H2,1H3.
What are the key properties of 9-[1-(4-methylphenyl)tetrazol-5-yl]-6-oxa-9-azaspiro[4.5]decane?
9-[1-(4-methylphenyl)tetrazol-5-yl]-6-oxa-9-azaspiro[4.5]decane has a molecular weight of 299.38 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(4-methylphenyl)tetrazol-5-yl]-6-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 71968531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).