9-(1-phenyltetrazol-5-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

C15H18N6O2 — CID 56884136

IUPAC9-(1-phenyltetrazol-5-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESO=C1NCC2(CCCN(c3nnnn3-c3ccccc3)CC2)O1
InChIInChI=1S/C15H18N6O2/c22-14-16-11-15(23-14)7-4-9-20(10-8-15)13-17-18-19-21(13)12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2,(H,16,22)
InChIKeyNQEOFGZACCSDFM-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.13
Rot. Bonds2

About 9-(1-phenyltetrazol-5-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

9-(1-phenyltetrazol-5-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (PubChem CID 56884136) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 9-(1-phenyltetrazol-5-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name9-(1-phenyltetrazol-5-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
PubChem CID56884136
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Name9-(1-phenyltetrazol-5-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESO=C1NCC2(CCCN(c3nnnn3-c3ccccc3)CC2)O1
InChIInChI=1S/C15H18N6O2/c22-14-16-11-15(23-14)7-4-9-20(10-8-15)13-17-18-19-21(13)12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2,(H,16,22)
InChIKeyNQEOFGZACCSDFM-UHFFFAOYSA-N
XLogP1.13
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-(1-phenyltetrazol-5-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 9-(1-phenyltetrazol-5-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (CID 56884136) is 9-(1-phenyltetrazol-5-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 9-(1-phenyltetrazol-5-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 9-(1-phenyltetrazol-5-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is O=C1NCC2(CCCN(c3nnnn3-c3ccccc3)CC2)O1.
What is the InChIKey of 9-(1-phenyltetrazol-5-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is NQEOFGZACCSDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2/c22-14-16-11-15(23-14)7-4-9-20(10-8-15)13-17-18-19-21(13)12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2,(H,16,22).
What are the key properties of 9-(1-phenyltetrazol-5-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
9-(1-phenyltetrazol-5-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 314.35 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-phenyltetrazol-5-yl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 56884136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).