2-(2-methoxyethyl)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one

C15H24N4O3 — CID 72878251

IUPAC2-(2-methoxyethyl)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCCN(c3nnc(C)o3)C2)CCC1=O
InChIInChI=1S/C15H24N4O3/c1-12-16-17-14(22-12)19-7-3-5-15(11-19)6-4-13(20)18(10-15)8-9-21-2/h3-11H2,1-2H3
InChIKeyISOPCJPYTBSSLY-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.23
Rot. Bonds4

About 2-(2-methoxyethyl)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one

2-(2-methoxyethyl)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 72878251) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID72878251
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name2-(2-methoxyethyl)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCCN(c3nnc(C)o3)C2)CCC1=O
InChIInChI=1S/C15H24N4O3/c1-12-16-17-14(22-12)19-7-3-5-15(11-19)6-4-13(20)18(10-15)8-9-21-2/h3-11H2,1-2H3
InChIKeyISOPCJPYTBSSLY-UHFFFAOYSA-N
XLogP1.23
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(6S)-2-(2-methoxyethyl)-8-(6-methylpyridazin-3-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96580750
(6S)-8-(5-chloro-3-fluoro-2-pyridinyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97042051
(6R)-2-(3-methoxypropyl)-8-pyrimidin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 95867371
8-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70788480
2-(3-methoxypropyl)-8-(5-methoxypyrimidin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70715563
(6S)-2-(2-methoxyethyl)-8-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 96576917
(6S)-2-(2-methoxyethyl)-8-[2-(2-oxopyrrolidin-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97150198
[2-[(6S)-2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]urea
CID 97117307
2-(3-methoxypropyl)-8-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70729461
2-(2-methoxyethyl)-8-(2-methyl-1H-pyrrole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70706736
8-[2-(5-aminotetrazol-1-yl)acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72906610
(6S)-8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95861690

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-methoxyethyl)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one (CID 72878251) is 2-(2-methoxyethyl)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-methoxyethyl)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-methoxyethyl)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one is COCCN1CC2(CCCN(c3nnc(C)o3)C2)CCC1=O.
What is the InChIKey of 2-(2-methoxyethyl)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is ISOPCJPYTBSSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-12-16-17-14(22-12)19-7-3-5-15(11-19)6-4-13(20)18(10-15)8-9-21-2/h3-11H2,1-2H3.
What are the key properties of 2-(2-methoxyethyl)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one?
2-(2-methoxyethyl)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 308.38 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72878251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).