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

C19H32N4O3 — CID 70736760

IUPAC8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCc1noc(CN2CCCC3(CCC(=O)N(CCC(C)C)C3)C2)n1
InChIInChI=1S/C19H32N4O3/c1-15(2)6-10-23-14-19(8-5-18(23)24)7-4-9-22(13-19)11-17-20-16(12-25-3)21-26-17/h15H,4-14H2,1-3H3
InChIKeyPTODJZJDYGREHC-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.47
Rot. Bonds7

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

8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70736760) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is 8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70736760
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC Name8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCc1noc(CN2CCCC3(CCC(=O)N(CCC(C)C)C3)C2)n1
InChIInChI=1S/C19H32N4O3/c1-15(2)6-10-23-14-19(8-5-18(23)24)7-4-9-22(13-19)11-17-20-16(12-25-3)21-26-17/h15H,4-14H2,1-3H3
InChIKeyPTODJZJDYGREHC-UHFFFAOYSA-N
XLogP2.47
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(6R)-8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95868324
(6S)-8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95868323
8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 70769304
5-[[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 70755169
2-(2-methoxyethyl)-8-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70774935
(6S)-8-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95870181
(6S)-2-(2-methoxyethyl)-8-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97116269
2-[(6S)-2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide
CID 97122740
2-[(6R)-2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide
CID 97122741
methyl 2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate
CID 72863193
8-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70783606
1-[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 72933840

Frequently Asked Questions

What is the IUPAC name of 8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70736760) is 8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one is COCc1noc(CN2CCCC3(CCC(=O)N(CCC(C)C)C3)C2)n1.
What is the InChIKey of 8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is PTODJZJDYGREHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-15(2)6-10-23-14-19(8-5-18(23)24)7-4-9-22(13-19)11-17-20-16(12-25-3)21-26-17/h15H,4-14H2,1-3H3.
What are the key properties of 8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one?
8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 364.49 g/mol, XLogP of 2.47, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70736760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).