(3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

C17H22N4O4 — CID 97422180

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCc1noc([C@@H]2CCC3(CCN(C(=O)c4c(C)noc4C)CC3)O2)n1
InChIInChI=1S/C17H22N4O4/c1-10-14(11(2)24-19-10)16(22)21-8-6-17(7-9-21)5-4-13(23-17)15-18-12(3)20-25-15/h13H,4-9H2,1-3H3/t13-/m0/s1
InChIKeyYPMLALZIHWDMAS-ZDUSSCGKSA-N
MW346.39 g/mol
LogP2.51
Rot. Bonds2

About (3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (PubChem CID 97422180) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
PubChem CID97422180
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCc1noc([C@@H]2CCC3(CCN(C(=O)c4c(C)noc4C)CC3)O2)n1
InChIInChI=1S/C17H22N4O4/c1-10-14(11(2)24-19-10)16(22)21-8-6-17(7-9-21)5-4-13(23-17)15-18-12(3)20-25-15/h13H,4-9H2,1-3H3/t13-/m0/s1
InChIKeyYPMLALZIHWDMAS-ZDUSSCGKSA-N
XLogP2.51
TPSA94.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone with MolForge

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Related Compounds

[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-oxazol-4-yl)methanone
CID 131660522
[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(5-methylpyrazin-2-yl)methanone
CID 131646693
[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1-methylpyrazol-4-yl)methanone
CID 97422213
[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone
CID 97422193
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-pyrimidin-5-ylpropan-1-one
CID 131681689
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 71706126
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 91786172
4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 38725800
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidine-4-carbonitrile
CID 49063486
3-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1,1-dimethylurea
CID 131642141
(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-8-[(3-methylthiophen-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 97486184
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63125770

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (CID 97422180) is (3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is Cc1noc([C@@H]2CCC3(CCN(C(=O)c4c(C)noc4C)CC3)O2)n1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The InChIKey is YPMLALZIHWDMAS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-10-14(11(2)24-19-10)16(22)21-8-6-17(7-9-21)5-4-13(23-17)15-18-12(3)20-25-15/h13H,4-9H2,1-3H3/t13-/m0/s1.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone has a molecular weight of 346.39 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 97422180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).