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

C17H28N4O3 — CID 70769304

IUPAC8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCc1noc(CN2CCCC3(CCC(=O)N(C(C)C)C3)C2)n1
InChIInChI=1S/C17H28N4O3/c1-13(2)21-12-17(7-5-16(21)22)6-4-8-20(11-17)9-15-18-14(10-23-3)19-24-15/h13H,4-12H2,1-3H3
InChIKeyBKYUJZKIZWOHJO-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.83
Rot. Bonds5

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

8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70769304) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70769304
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCc1noc(CN2CCCC3(CCC(=O)N(C(C)C)C3)C2)n1
InChIInChI=1S/C17H28N4O3/c1-13(2)21-12-17(7-5-16(21)22)6-4-8-20(11-17)9-15-18-14(10-23-3)19-24-15/h13H,4-12H2,1-3H3
InChIKeyBKYUJZKIZWOHJO-UHFFFAOYSA-N
XLogP1.83
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70736760
(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
2-(2-methoxyethyl)-8-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70774935
8-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 70713952
(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
5-[[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 70755169
(5S)-7-(cyclobutylmethyl)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97129127
(5S)-2-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97141504
1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylpiperidin-2-one
CID 70751427
3-tert-butyl-5-[[2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,2,4-oxadiazole
CID 166211940

Frequently Asked Questions

What is the IUPAC name of 8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one (CID 70769304) is 8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-propan-2-yl-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-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one is COCc1noc(CN2CCCC3(CCC(=O)N(C(C)C)C3)C2)n1.
What is the InChIKey of 8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is BKYUJZKIZWOHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-13(2)21-12-17(7-5-16(21)22)6-4-8-20(11-17)9-15-18-14(10-23-3)19-24-15/h13H,4-12H2,1-3H3.
What are the key properties of 8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one?
8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 336.44 g/mol, XLogP of 1.83, 5 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-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70769304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).