(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone

C19H28N2O3 — CID 119044076

IUPAC(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone
SMILESCC1(C)CN(C(=O)c2noc3c2CCCCC3)CC2(CCCC2)O1
InChIInChI=1S/C19H28N2O3/c1-18(2)12-21(13-19(24-18)10-6-7-11-19)17(22)16-14-8-4-3-5-9-15(14)23-20-16/h3-13H2,1-2H3
InChIKeyYVBQQBPIPDIUHI-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.51
Rot. Bonds1

About (7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone

(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone (PubChem CID 119044076) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone.

Molecular Properties

Compound Name(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone
PubChem CID119044076
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone
SMILESCC1(C)CN(C(=O)c2noc3c2CCCCC3)CC2(CCCC2)O1
InChIInChI=1S/C19H28N2O3/c1-18(2)12-21(13-19(24-18)10-6-7-11-19)17(22)16-14-8-4-3-5-9-15(14)23-20-16/h3-13H2,1-2H3
InChIKeyYVBQQBPIPDIUHI-UHFFFAOYSA-N
XLogP3.51
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone?
The IUPAC name of (7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone (CID 119044076) is (7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone.
What is the SMILES notation for (7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone?
The canonical SMILES for (7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone is CC1(C)CN(C(=O)c2noc3c2CCCCC3)CC2(CCCC2)O1.
What is the InChIKey of (7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone?
The InChIKey is YVBQQBPIPDIUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-18(2)12-21(13-19(24-18)10-6-7-11-19)17(22)16-14-8-4-3-5-9-15(14)23-20-16/h3-13H2,1-2H3.
What are the key properties of (7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone?
(7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone has a molecular weight of 332.44 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7,7-dimethyl-6-oxa-9-azaspiro[4.5]decan-9-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone is sourced from PubChem (CID 119044076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).