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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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).