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

C18H29N3O4 — CID 97486844

IUPAC[(3S)-2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCOCCN1CC2(CCN(C(=O)c3ocnc3C)CC2)C[C@H]1COC
InChIInChI=1S/C18H29N3O4/c1-14-16(25-13-19-14)17(22)20-6-4-18(5-7-20)10-15(11-24-3)21(12-18)8-9-23-2/h13,15H,4-12H2,1-3H3/t15-/m0/s1
InChIKeySZMRZHTXRLFCJJ-HNNXBMFYSA-N
MW351.45 g/mol
LogP1.57
Rot. Bonds6

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

[(3S)-2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (PubChem CID 97486844) has the molecular formula C18H29N3O4 and a molecular weight of 351.45 g/mol. Its IUPAC name is [(3S)-2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(3S)-2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
PubChem CID97486844
Molecular FormulaC18H29N3O4
Molecular Weight351.45 g/mol
Exact Mass351.22
IUPAC Name[(3S)-2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCOCCN1CC2(CCN(C(=O)c3ocnc3C)CC2)C[C@H]1COC
InChIInChI=1S/C18H29N3O4/c1-14-16(25-13-19-14)17(22)20-6-4-18(5-7-20)10-15(11-24-3)21(12-18)8-9-23-2/h13,15H,4-12H2,1-3H3/t15-/m0/s1
InChIKeySZMRZHTXRLFCJJ-HNNXBMFYSA-N
XLogP1.57
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3S)-2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(4-methyl-1,3-oxazol-5-yl)methanone with MolForge

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Related Compounds

[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(5-methyl-2-pyridinyl)methanone
CID 131663252
(1-fluorocyclobutyl)-[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 131679877
cyclohexen-1-yl-[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
CID 155843206
[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-oxazol-4-yl)methanone
CID 131655457
(2-fluoro-4-pyridinyl)-[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 131680347
[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 91921993
(6-ethyl-3-pyridinyl)-[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 131681940
(5aS,9aR)-1-(2-methoxyethyl)-7-(4-methyl-1,3-oxazole-5-carbonyl)-3,4,5,5a,6,8,9,9a-octahydropyrido[4,3-b]azepin-2-one
CID 110124743
(3-chlorophenyl)-[(3R)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97475712
[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;hydrochloride
CID 146074245
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 134074221
(4-fluoro-2-methylphenyl)-[(3S)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97476426

Frequently Asked Questions

What is the IUPAC name of [(3S)-2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [(3S)-2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (CID 97486844) is [(3S)-2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [(3S)-2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [(3S)-2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is COCCN1CC2(CCN(C(=O)c3ocnc3C)CC2)C[C@H]1COC.
What is the InChIKey of [(3S)-2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The InChIKey is SZMRZHTXRLFCJJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H29N3O4/c1-14-16(25-13-19-14)17(22)20-6-4-18(5-7-20)10-15(11-24-3)21(12-18)8-9-23-2/h13,15H,4-12H2,1-3H3/t15-/m0/s1.
What are the key properties of [(3S)-2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
[(3S)-2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(4-methyl-1,3-oxazol-5-yl)methanone has a molecular weight of 351.45 g/mol, XLogP of 1.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 97486844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).