2-oxa-9-azaspiro[4.5]decan-9-yl-[2-(1,2,4-triazol-1-yl)phenyl]methanone

C17H20N4O2 — CID 72937033

IUPAC2-oxa-9-azaspiro[4.5]decan-9-yl-[2-(1,2,4-triazol-1-yl)phenyl]methanone
SMILESO=C(c1ccccc1-n1cncn1)N1CCCC2(CCOC2)C1
InChIInChI=1S/C17H20N4O2/c22-16(20-8-3-6-17(10-20)7-9-23-11-17)14-4-1-2-5-15(14)21-13-18-12-19-21/h1-2,4-5,12-13H,3,6-11H2
InChIKeyKWJNYAMNIQFAIW-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.91
Rot. Bonds2

About 2-oxa-9-azaspiro[4.5]decan-9-yl-[2-(1,2,4-triazol-1-yl)phenyl]methanone

2-oxa-9-azaspiro[4.5]decan-9-yl-[2-(1,2,4-triazol-1-yl)phenyl]methanone (PubChem CID 72937033) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-oxa-9-azaspiro[4.5]decan-9-yl-[2-(1,2,4-triazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name2-oxa-9-azaspiro[4.5]decan-9-yl-[2-(1,2,4-triazol-1-yl)phenyl]methanone
PubChem CID72937033
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-oxa-9-azaspiro[4.5]decan-9-yl-[2-(1,2,4-triazol-1-yl)phenyl]methanone
SMILESO=C(c1ccccc1-n1cncn1)N1CCCC2(CCOC2)C1
InChIInChI=1S/C17H20N4O2/c22-16(20-8-3-6-17(10-20)7-9-23-11-17)14-4-1-2-5-15(14)21-13-18-12-19-21/h1-2,4-5,12-13H,3,6-11H2
InChIKeyKWJNYAMNIQFAIW-UHFFFAOYSA-N
XLogP1.91
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methylbenzimidazol-4-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 128651253
3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)-6-phenyl-1H-pyridin-2-one
CID 72876722
2-methyl-1-[6-[2-(1,2,4-triazol-1-yl)benzoyl]-2,6-diazaspiro[3.3]heptan-2-yl]propan-1-one
CID 167752272
6-methyl-3-(2-oxa-9-azaspiro[4.5]decane-9-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 72863190
[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 97148065
2-(1,2,4-triazol-1-yl)benzoic acid;hydrochloride
CID 50853299
(E)-1-(2-oxa-9-azaspiro[4.5]decan-9-yl)-3-phenylprop-2-en-1-one
CID 72880194
(E)-1-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]-3-phenylprop-2-en-1-one
CID 97128224
[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone
CID 135091106
[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone
CID 97137037
[3-(5-methyltetrazol-1-yl)phenyl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97118767
[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone
CID 97137038

Frequently Asked Questions

What is the IUPAC name of 2-oxa-9-azaspiro[4.5]decan-9-yl-[2-(1,2,4-triazol-1-yl)phenyl]methanone?
The IUPAC name of 2-oxa-9-azaspiro[4.5]decan-9-yl-[2-(1,2,4-triazol-1-yl)phenyl]methanone (CID 72937033) is 2-oxa-9-azaspiro[4.5]decan-9-yl-[2-(1,2,4-triazol-1-yl)phenyl]methanone.
What is the SMILES notation for 2-oxa-9-azaspiro[4.5]decan-9-yl-[2-(1,2,4-triazol-1-yl)phenyl]methanone?
The canonical SMILES for 2-oxa-9-azaspiro[4.5]decan-9-yl-[2-(1,2,4-triazol-1-yl)phenyl]methanone is O=C(c1ccccc1-n1cncn1)N1CCCC2(CCOC2)C1.
What is the InChIKey of 2-oxa-9-azaspiro[4.5]decan-9-yl-[2-(1,2,4-triazol-1-yl)phenyl]methanone?
The InChIKey is KWJNYAMNIQFAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-16(20-8-3-6-17(10-20)7-9-23-11-17)14-4-1-2-5-15(14)21-13-18-12-19-21/h1-2,4-5,12-13H,3,6-11H2.
What are the key properties of 2-oxa-9-azaspiro[4.5]decan-9-yl-[2-(1,2,4-triazol-1-yl)phenyl]methanone?
2-oxa-9-azaspiro[4.5]decan-9-yl-[2-(1,2,4-triazol-1-yl)phenyl]methanone has a molecular weight of 312.37 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-9-azaspiro[4.5]decan-9-yl-[2-(1,2,4-triazol-1-yl)phenyl]methanone is sourced from PubChem (CID 72937033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).