2-azaspiro[5.6]dodecan-2-yl-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone

C17H26N2O3 — CID 71926236

IUPAC2-azaspiro[5.6]dodecan-2-yl-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
SMILESCOCc1cc(C(=O)N2CCCC3(CCCCCC3)C2)no1
InChIInChI=1S/C17H26N2O3/c1-21-12-14-11-15(18-22-14)16(20)19-10-6-9-17(13-19)7-4-2-3-5-8-17/h11H,2-10,12-13H2,1H3
InChIKeyFEWJDGIGVSATBQ-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.40
Rot. Bonds3

About 2-azaspiro[5.6]dodecan-2-yl-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone

2-azaspiro[5.6]dodecan-2-yl-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone (PubChem CID 71926236) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-azaspiro[5.6]dodecan-2-yl-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name2-azaspiro[5.6]dodecan-2-yl-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
PubChem CID71926236
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2-azaspiro[5.6]dodecan-2-yl-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
SMILESCOCc1cc(C(=O)N2CCCC3(CCCCCC3)C2)no1
InChIInChI=1S/C17H26N2O3/c1-21-12-14-11-15(18-22-14)16(20)19-10-6-9-17(13-19)7-4-2-3-5-8-17/h11H,2-10,12-13H2,1H3
InChIKeyFEWJDGIGVSATBQ-UHFFFAOYSA-N
XLogP3.40
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[5.6]dodecan-2-yl-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of 2-azaspiro[5.6]dodecan-2-yl-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone (CID 71926236) is 2-azaspiro[5.6]dodecan-2-yl-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for 2-azaspiro[5.6]dodecan-2-yl-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for 2-azaspiro[5.6]dodecan-2-yl-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone is COCc1cc(C(=O)N2CCCC3(CCCCCC3)C2)no1.
What is the InChIKey of 2-azaspiro[5.6]dodecan-2-yl-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is FEWJDGIGVSATBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-21-12-14-11-15(18-22-14)16(20)19-10-6-9-17(13-19)7-4-2-3-5-8-17/h11H,2-10,12-13H2,1H3.
What are the key properties of 2-azaspiro[5.6]dodecan-2-yl-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone?
2-azaspiro[5.6]dodecan-2-yl-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 306.41 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[5.6]dodecan-2-yl-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 71926236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).