(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone

C15H22N2O4 — CID 110156468

IUPAC(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
SMILESCCc1noc(C)c1C(=O)N1C[C@H](OC)[C@]2(CCCO2)C1
InChIInChI=1S/C15H22N2O4/c1-4-11-13(10(2)21-16-11)14(18)17-8-12(19-3)15(9-17)6-5-7-20-15/h12H,4-9H2,1-3H3/t12-,15-/m0/s1
InChIKeyQJQKJMASAALCRE-WFASDCNBSA-N
MW294.35 g/mol
LogP1.57
Rot. Bonds3

About (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone

(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone (PubChem CID 110156468) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
PubChem CID110156468
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
SMILESCCc1noc(C)c1C(=O)N1C[C@H](OC)[C@]2(CCCO2)C1
InChIInChI=1S/C15H22N2O4/c1-4-11-13(10(2)21-16-11)14(18)17-8-12(19-3)15(9-17)6-5-7-20-15/h12H,4-9H2,1-3H3/t12-,15-/m0/s1
InChIKeyQJQKJMASAALCRE-WFASDCNBSA-N
XLogP1.57
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone with MolForge

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Related Compounds

(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 110156467
[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110159496
(1,2-dimethylindol-3-yl)-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 110156922
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 63105123
[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 110156692
[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-thiazol-5-yl)methanone
CID 110159393
[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 110159724
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one
CID 110156686
[(3S)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 92633386
[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 110156464
1-[4-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]piperidin-1-yl]ethanone
CID 110156724
(3,5-dimethyl-1,2-oxazol-4-yl)-[(5S,6S)-6-hydroxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 110159487

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
The IUPAC name of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone (CID 110156468) is (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone.
What is the SMILES notation for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
The canonical SMILES for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone is CCc1noc(C)c1C(=O)N1C[C@H](OC)[C@]2(CCCO2)C1.
What is the InChIKey of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
The InChIKey is QJQKJMASAALCRE-WFASDCNBSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-4-11-13(10(2)21-16-11)14(18)17-8-12(19-3)15(9-17)6-5-7-20-15/h12H,4-9H2,1-3H3/t12-,15-/m0/s1.
What are the key properties of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone has a molecular weight of 294.35 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone is sourced from PubChem (CID 110156468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).