6,6-dimethyl-2-(3-methyl-2-azaspiro[4.4]nonan-3-yl)cyclohepta[d][1,3]oxazole

C19H26N2O — CID 142555365

IUPAC6,6-dimethyl-2-(3-methyl-2-azaspiro[4.4]nonan-3-yl)cyclohepta[d][1,3]oxazole
SMILESCC1(C)C=Cc2nc(C3(C)CC4(CCCC4)CN3)oc2C=C1
InChIInChI=1S/C19H26N2O/c1-17(2)10-6-14-15(7-11-17)22-16(21-14)18(3)12-19(13-20-18)8-4-5-9-19/h6-7,10-11,20H,4-5,8-9,12-13H2,1-3H3
InChIKeyOKMMCFAZYFWRHF-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.51
Rot. Bonds1

About 6,6-dimethyl-2-(3-methyl-2-azaspiro[4.4]nonan-3-yl)cyclohepta[d][1,3]oxazole

6,6-dimethyl-2-(3-methyl-2-azaspiro[4.4]nonan-3-yl)cyclohepta[d][1,3]oxazole (PubChem CID 142555365) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 6,6-dimethyl-2-(3-methyl-2-azaspiro[4.4]nonan-3-yl)cyclohepta[d][1,3]oxazole.

Molecular Properties

Compound Name6,6-dimethyl-2-(3-methyl-2-azaspiro[4.4]nonan-3-yl)cyclohepta[d][1,3]oxazole
PubChem CID142555365
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name6,6-dimethyl-2-(3-methyl-2-azaspiro[4.4]nonan-3-yl)cyclohepta[d][1,3]oxazole
SMILESCC1(C)C=Cc2nc(C3(C)CC4(CCCC4)CN3)oc2C=C1
InChIInChI=1S/C19H26N2O/c1-17(2)10-6-14-15(7-11-17)22-16(21-14)18(3)12-19(13-20-18)8-4-5-9-19/h6-7,10-11,20H,4-5,8-9,12-13H2,1-3H3
InChIKeyOKMMCFAZYFWRHF-UHFFFAOYSA-N
XLogP4.51
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-(3-methyl-2-azaspiro[4.4]nonan-3-yl)cyclohepta[d][1,3]oxazole?
The IUPAC name of 6,6-dimethyl-2-(3-methyl-2-azaspiro[4.4]nonan-3-yl)cyclohepta[d][1,3]oxazole (CID 142555365) is 6,6-dimethyl-2-(3-methyl-2-azaspiro[4.4]nonan-3-yl)cyclohepta[d][1,3]oxazole.
What is the SMILES notation for 6,6-dimethyl-2-(3-methyl-2-azaspiro[4.4]nonan-3-yl)cyclohepta[d][1,3]oxazole?
The canonical SMILES for 6,6-dimethyl-2-(3-methyl-2-azaspiro[4.4]nonan-3-yl)cyclohepta[d][1,3]oxazole is CC1(C)C=Cc2nc(C3(C)CC4(CCCC4)CN3)oc2C=C1.
What is the InChIKey of 6,6-dimethyl-2-(3-methyl-2-azaspiro[4.4]nonan-3-yl)cyclohepta[d][1,3]oxazole?
The InChIKey is OKMMCFAZYFWRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-17(2)10-6-14-15(7-11-17)22-16(21-14)18(3)12-19(13-20-18)8-4-5-9-19/h6-7,10-11,20H,4-5,8-9,12-13H2,1-3H3.
What are the key properties of 6,6-dimethyl-2-(3-methyl-2-azaspiro[4.4]nonan-3-yl)cyclohepta[d][1,3]oxazole?
6,6-dimethyl-2-(3-methyl-2-azaspiro[4.4]nonan-3-yl)cyclohepta[d][1,3]oxazole has a molecular weight of 298.43 g/mol, XLogP of 4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-(3-methyl-2-azaspiro[4.4]nonan-3-yl)cyclohepta[d][1,3]oxazole is sourced from PubChem (CID 142555365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).