2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-(4-oxa-1-azaspiro[5.5]undecan-1-yl)ethanone

C16H24N2O4 — CID 138017232

IUPAC2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-(4-oxa-1-azaspiro[5.5]undecan-1-yl)ethanone
SMILESCc1cc(COCC(=O)N2CCOCC23CCCCC3)no1
InChIInChI=1S/C16H24N2O4/c1-13-9-14(17-22-13)10-21-11-15(19)18-7-8-20-12-16(18)5-3-2-4-6-16/h9H,2-8,10-12H2,1H3
InChIKeyLIEOCTCZCVALLA-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.06
Rot. Bonds4

About 2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-(4-oxa-1-azaspiro[5.5]undecan-1-yl)ethanone

2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-(4-oxa-1-azaspiro[5.5]undecan-1-yl)ethanone (PubChem CID 138017232) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-(4-oxa-1-azaspiro[5.5]undecan-1-yl)ethanone.

Molecular Properties

Compound Name2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-(4-oxa-1-azaspiro[5.5]undecan-1-yl)ethanone
PubChem CID138017232
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-(4-oxa-1-azaspiro[5.5]undecan-1-yl)ethanone
SMILESCc1cc(COCC(=O)N2CCOCC23CCCCC3)no1
InChIInChI=1S/C16H24N2O4/c1-13-9-14(17-22-13)10-21-11-15(19)18-7-8-20-12-16(18)5-3-2-4-6-16/h9H,2-8,10-12H2,1H3
InChIKeyLIEOCTCZCVALLA-UHFFFAOYSA-N
XLogP2.06
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-Methyl-1,2-oxazol-5-yl)methoxy]-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)ethanone
CID 99839893
1-[(1S,2R,4R)-6',6'-dimethylspiro[bicyclo[2.2.1]heptane-2,2'-morpholine]-4'-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]ethanone
CID 138017046
Tert-butyl 3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 57927546
tert-butyl (1S,5R)-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 68784832
[2-[(1-Cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 7737764
[(2S)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
CID 9383614
[(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
CID 9383615
[2-[(1-Morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 37681500
Tert-butyl 4-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]piperidine-1-carboxylate
CID 103915959
Tert-butyl 4-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]piperidine-1-carboxylate
CID 103915984
Tert-butyl 4-ethyl-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]piperidine-1-carboxylate
CID 103916048
Tert-butyl 4-ethyl-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]piperidine-1-carboxylate
CID 103916065

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-(4-oxa-1-azaspiro[5.5]undecan-1-yl)ethanone?
The IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-(4-oxa-1-azaspiro[5.5]undecan-1-yl)ethanone (CID 138017232) is 2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-(4-oxa-1-azaspiro[5.5]undecan-1-yl)ethanone.
What is the SMILES notation for 2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-(4-oxa-1-azaspiro[5.5]undecan-1-yl)ethanone?
The canonical SMILES for 2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-(4-oxa-1-azaspiro[5.5]undecan-1-yl)ethanone is Cc1cc(COCC(=O)N2CCOCC23CCCCC3)no1.
What is the InChIKey of 2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-(4-oxa-1-azaspiro[5.5]undecan-1-yl)ethanone?
The InChIKey is LIEOCTCZCVALLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-13-9-14(17-22-13)10-21-11-15(19)18-7-8-20-12-16(18)5-3-2-4-6-16/h9H,2-8,10-12H2,1H3.
What are the key properties of 2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-(4-oxa-1-azaspiro[5.5]undecan-1-yl)ethanone?
2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-(4-oxa-1-azaspiro[5.5]undecan-1-yl)ethanone has a molecular weight of 308.38 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-(4-oxa-1-azaspiro[5.5]undecan-1-yl)ethanone is sourced from PubChem (CID 138017232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).