8-(2,1,3-benzoxadiazol-4-ylmethyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C16H20N4O3 — CID 70723568

IUPAC8-(2,1,3-benzoxadiazol-4-ylmethyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCN1CC2(CCN(Cc3cccc4nonc34)CC2)OC1=O
InChIInChI=1S/C16H20N4O3/c1-2-20-11-16(22-15(20)21)6-8-19(9-7-16)10-12-4-3-5-13-14(12)18-23-17-13/h3-5H,2,6-11H2,1H3
InChIKeyTZMVCHOWJLDYQD-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.03
Rot. Bonds3

About 8-(2,1,3-benzoxadiazol-4-ylmethyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-(2,1,3-benzoxadiazol-4-ylmethyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70723568) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 8-(2,1,3-benzoxadiazol-4-ylmethyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(2,1,3-benzoxadiazol-4-ylmethyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70723568
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name8-(2,1,3-benzoxadiazol-4-ylmethyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCN1CC2(CCN(Cc3cccc4nonc34)CC2)OC1=O
InChIInChI=1S/C16H20N4O3/c1-2-20-11-16(22-15(20)21)6-8-19(9-7-16)10-12-4-3-5-13-14(12)18-23-17-13/h3-5H,2,6-11H2,1H3
InChIKeyTZMVCHOWJLDYQD-UHFFFAOYSA-N
XLogP2.03
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2,1,3-benzoxadiazol-4-ylmethyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(2,1,3-benzoxadiazol-4-ylmethyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70723568) is 8-(2,1,3-benzoxadiazol-4-ylmethyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(2,1,3-benzoxadiazol-4-ylmethyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(2,1,3-benzoxadiazol-4-ylmethyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCN1CC2(CCN(Cc3cccc4nonc34)CC2)OC1=O.
What is the InChIKey of 8-(2,1,3-benzoxadiazol-4-ylmethyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is TZMVCHOWJLDYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-2-20-11-16(22-15(20)21)6-8-19(9-7-16)10-12-4-3-5-13-14(12)18-23-17-13/h3-5H,2,6-11H2,1H3.
What are the key properties of 8-(2,1,3-benzoxadiazol-4-ylmethyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(2,1,3-benzoxadiazol-4-ylmethyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 316.36 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,1,3-benzoxadiazol-4-ylmethyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70723568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).