(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone

C16H18N2O5 — CID 90537302

IUPAC(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
SMILESCC1(C)OCC2(CO1)CN(C(=O)c1cc(-c3ccco3)on1)C2
InChIInChI=1S/C16H18N2O5/c1-15(2)21-9-16(10-22-15)7-18(8-16)14(19)11-6-13(23-17-11)12-4-3-5-20-12/h3-6H,7-10H2,1-2H3
InChIKeyFAPJNDUVZYOEJU-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.16
Rot. Bonds2

About (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone

(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone (PubChem CID 90537302) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
PubChem CID90537302
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
SMILESCC1(C)OCC2(CO1)CN(C(=O)c1cc(-c3ccco3)on1)C2
InChIInChI=1S/C16H18N2O5/c1-15(2)21-9-16(10-22-15)7-18(8-16)14(19)11-6-13(23-17-11)12-4-3-5-20-12/h3-6H,7-10H2,1-2H3
InChIKeyFAPJNDUVZYOEJU-UHFFFAOYSA-N
XLogP2.16
TPSA77.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazine-2,6-dione
CID 66083527
(4-amino-3,3-dimethylpiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;hydrochloride
CID 120818638
[5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406001
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone
CID 167750688
6-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane-2-carbonyl)-2-methylpyridazin-3-one
CID 71789538
(3,5-dimethyl-4-phenylpiperazin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 110616585
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334322
[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90584589
5-(furan-2-yl)-1,2-oxazole-3-carbonyl chloride
CID 2795555
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493226
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(7R)-7-(furan-2-yl)-1,4-thiazepan-4-yl]methanone
CID 99878776
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934747

Frequently Asked Questions

What is the IUPAC name of (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone (CID 90537302) is (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone is CC1(C)OCC2(CO1)CN(C(=O)c1cc(-c3ccco3)on1)C2.
What is the InChIKey of (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone?
The InChIKey is FAPJNDUVZYOEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-15(2)21-9-16(10-22-15)7-18(8-16)14(19)11-6-13(23-17-11)12-4-3-5-20-12/h3-6H,7-10H2,1-2H3.
What are the key properties of (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone?
(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone has a molecular weight of 318.33 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 90537302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).