[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;hydrochloride

C15H24ClN3O3 — CID 146074245

IUPAC[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;hydrochloride
SMILESCOCC1CN(C(=O)c2ocnc2C)CC12CCNCC2.Cl
InChIInChI=1S/C15H23N3O3.ClH/c1-11-13(21-10-17-11)14(19)18-7-12(8-20-2)15(9-18)3-5-16-6-4-15;/h10,12,16H,3-9H2,1-2H3;1H
InChIKeyKDGROHXNQFHHNF-UHFFFAOYSA-N
MW329.83 g/mol
LogP1.49
Rot. Bonds3

About [4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;hydrochloride

[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;hydrochloride (PubChem CID 146074245) has the molecular formula C15H24ClN3O3 and a molecular weight of 329.83 g/mol. Its IUPAC name is [4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;hydrochloride
PubChem CID146074245
Molecular FormulaC15H24ClN3O3
Molecular Weight329.83 g/mol
Exact Mass329.15
IUPAC Name[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;hydrochloride
SMILESCOCC1CN(C(=O)c2ocnc2C)CC12CCNCC2.Cl
InChIInChI=1S/C15H23N3O3.ClH/c1-11-13(21-10-17-11)14(19)18-7-12(8-20-2)15(9-18)3-5-16-6-4-15;/h10,12,16H,3-9H2,1-2H3;1H
InChIKeyKDGROHXNQFHHNF-UHFFFAOYSA-N
XLogP1.49
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 91921993
4-(methoxymethyl)-N,N-dimethyl-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 91922024
cyclopent-3-en-1-yl-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;hydrochloride
CID 171152294
[(3S)-2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 97486844
4-(methoxymethyl)-N-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 91922025
(3,3-dimethylpiperazin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone
CID 79506581
[(8S)-8-(ethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 124809833
[(3aR,6aR)-3a-(oxan-4-ylmethoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 124809858
(3-chloro-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone
CID 131007255
azetidin-3-yl-[8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]methanone
CID 121204422
(5-bromofuran-2-yl)-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;hydrochloride
CID 146071861
[7-[[furan-2-ylmethyl(methyl)amino]methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 131645479

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;hydrochloride?
The IUPAC name of [4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;hydrochloride (CID 146074245) is [4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;hydrochloride?
The canonical SMILES for [4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;hydrochloride is COCC1CN(C(=O)c2ocnc2C)CC12CCNCC2.Cl.
What is the InChIKey of [4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;hydrochloride?
The InChIKey is KDGROHXNQFHHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3.ClH/c1-11-13(21-10-17-11)14(19)18-7-12(8-20-2)15(9-18)3-5-16-6-4-15;/h10,12,16H,3-9H2,1-2H3;1H.
What are the key properties of [4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;hydrochloride?
[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;hydrochloride has a molecular weight of 329.83 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;hydrochloride is sourced from PubChem (CID 146074245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).