2-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)ethanone

C14H20N2O4 — CID 99839893

IUPAC2-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)ethanone
SMILESCc1cc(COCC(=O)N2CCOC3(CCC3)C2)on1
InChIInChI=1S/C14H20N2O4/c1-11-7-12(20-15-11)8-18-9-13(17)16-5-6-19-14(10-16)3-2-4-14/h7H,2-6,8-10H2,1H3
InChIKeyQPHVJFBOGFCDBS-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.28
Rot. Bonds4

About 2-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)ethanone

2-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)ethanone (PubChem CID 99839893) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)ethanone.

Molecular Properties

Compound Name2-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)ethanone
PubChem CID99839893
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)ethanone
SMILESCc1cc(COCC(=O)N2CCOC3(CCC3)C2)on1
InChIInChI=1S/C14H20N2O4/c1-11-7-12(20-15-11)8-18-9-13(17)16-5-6-19-14(10-16)3-2-4-14/h7H,2-6,8-10H2,1H3
InChIKeyQPHVJFBOGFCDBS-UHFFFAOYSA-N
XLogP1.28
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-Methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 118740266
1-(6,6-Dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]ethanone
CID 128276646
2-[(5-Methyl-1,2-oxazol-3-yl)methoxy]-1-(4-oxa-1-azaspiro[5.5]undecan-1-yl)ethanone
CID 138017232
N-[(1S)-cyclohex-3-en-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]acetamide
CID 164634692
1-[(2S)-4-ethyl-2-methylpiperazin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]ethanone
CID 164634821
5-(methoxymethyl)-3-[[(3S)-3-methoxy-3-methylpiperidin-1-yl]methyl]-1,2-oxazole
CID 164642839
N,N-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]ethanamine
CID 355100
(3-Methyl-1,2-oxazol-5-yl)methyl 1-(cyclopropanecarbonyl)pyrrolidine-2-carboxylate
CID 71896871
[2-[(1-Cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 7737764
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 8646176
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 8646179
[2-(3-Methylbutylamino)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 18776649

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)ethanone?
The IUPAC name of 2-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)ethanone (CID 99839893) is 2-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)ethanone.
What is the SMILES notation for 2-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)ethanone?
The canonical SMILES for 2-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)ethanone is Cc1cc(COCC(=O)N2CCOC3(CCC3)C2)on1.
What is the InChIKey of 2-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)ethanone?
The InChIKey is QPHVJFBOGFCDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-11-7-12(20-15-11)8-18-9-13(17)16-5-6-19-14(10-16)3-2-4-14/h7H,2-6,8-10H2,1H3.
What are the key properties of 2-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)ethanone?
2-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)ethanone has a molecular weight of 280.32 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)ethanone is sourced from PubChem (CID 99839893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).