6-methyl-2-(8-methyl-7-azaspiro[3.5]nonan-8-yl)-6-propan-2-ylcyclohepta[d][1,3]oxazole

C21H30N2O — CID 142555378

IUPAC6-methyl-2-(8-methyl-7-azaspiro[3.5]nonan-8-yl)-6-propan-2-ylcyclohepta[d][1,3]oxazole
SMILESCC(C)C1(C)C=Cc2nc(C3(C)CC4(CCC4)CCN3)oc2C=C1
InChIInChI=1S/C21H30N2O/c1-15(2)19(3)10-6-16-17(7-11-19)24-18(23-16)20(4)14-21(8-5-9-21)12-13-22-20/h6-7,10-11,15,22H,5,8-9,12-14H2,1-4H3
InChIKeyCCMLZQCCWYMREX-UHFFFAOYSA-N
MW326.48 g/mol
LogP5.15
Rot. Bonds2

About 6-methyl-2-(8-methyl-7-azaspiro[3.5]nonan-8-yl)-6-propan-2-ylcyclohepta[d][1,3]oxazole

6-methyl-2-(8-methyl-7-azaspiro[3.5]nonan-8-yl)-6-propan-2-ylcyclohepta[d][1,3]oxazole (PubChem CID 142555378) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is 6-methyl-2-(8-methyl-7-azaspiro[3.5]nonan-8-yl)-6-propan-2-ylcyclohepta[d][1,3]oxazole.

Molecular Properties

Compound Name6-methyl-2-(8-methyl-7-azaspiro[3.5]nonan-8-yl)-6-propan-2-ylcyclohepta[d][1,3]oxazole
PubChem CID142555378
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC Name6-methyl-2-(8-methyl-7-azaspiro[3.5]nonan-8-yl)-6-propan-2-ylcyclohepta[d][1,3]oxazole
SMILESCC(C)C1(C)C=Cc2nc(C3(C)CC4(CCC4)CCN3)oc2C=C1
InChIInChI=1S/C21H30N2O/c1-15(2)19(3)10-6-16-17(7-11-19)24-18(23-16)20(4)14-21(8-5-9-21)12-13-22-20/h6-7,10-11,15,22H,5,8-9,12-14H2,1-4H3
InChIKeyCCMLZQCCWYMREX-UHFFFAOYSA-N
XLogP5.15
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(Fluoromethyl)-3-(2-fluoropropyl)-3-(6-methyl-6-propan-2-ylcyclohepta[d][1,3]oxazol-2-yl)cyclobutyl]propan-2-amine
CID 138554200
2-(7,9-Difluoro-3,7,9-trimethyl-2-azaspiro[4.5]decan-3-yl)-6-methyl-6-propan-2-ylcyclohepta[d][1,3]oxazole
CID 142555440
2-(1',5'-Difluorospiro[azetidine-3,2'-bicyclo[3.1.1]heptane]-6'-yl)-6-methyl-6-propan-2-ylcyclohepta[d][1,3]oxazole
CID 163833452
2-(2',5-Difluoro-2'-methylspiro[bicyclo[3.1.1]heptane-3,4'-pyrrolidine]-1-yl)-6-methyl-6-propan-2-ylcyclohepta[d][1,3]oxazole
CID 166688236
1-[3-Fluoro-1-(fluoromethyl)-3,5-dimethyl-5-(6-methyl-6-propan-2-ylcyclohepta[d][1,3]oxazol-2-yl)cyclohexyl]propan-2-amine
CID 166688237
7-fluoro-N,7-dimethyl-2-(6-methyl-6-propan-2-ylcyclohepta[d][1,3]oxazol-2-yl)spiro[3.4]octan-2-amine
CID 142555372
6-Methyl-2-(9-methyl-7-azaspiro[3.6]dec-7-en-9-yl)-6-propan-2-ylcyclohepta[d][1,3]oxazole
CID 138553988
6-Methyl-2-(3-methyl-2-azaspiro[4.4]nonan-3-yl)-6-propan-2-ylcyclohepta[d][1,3]oxazole
CID 138554049
6-Methyl-2-(7-methyl-2-azaspiro[3.5]nonan-7-yl)-6-propan-2-ylcyclohepta[d][1,3]oxazole
CID 138554232
6,6-Dimethyl-2-(7-methyl-6-azaspiro[3.4]octan-7-yl)cyclohepta[d][1,3]oxazole
CID 142555335
6-Methyl-2-(8-methyl-2-azaspiro[4.4]nonan-8-yl)-6-propan-2-ylcyclohepta[d][1,3]oxazole
CID 142555336
6,6-Dimethyl-2-(3-methyl-2-azaspiro[4.4]nonan-3-yl)cyclohepta[d][1,3]oxazole
CID 142555365

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(8-methyl-7-azaspiro[3.5]nonan-8-yl)-6-propan-2-ylcyclohepta[d][1,3]oxazole?
The IUPAC name of 6-methyl-2-(8-methyl-7-azaspiro[3.5]nonan-8-yl)-6-propan-2-ylcyclohepta[d][1,3]oxazole (CID 142555378) is 6-methyl-2-(8-methyl-7-azaspiro[3.5]nonan-8-yl)-6-propan-2-ylcyclohepta[d][1,3]oxazole.
What is the SMILES notation for 6-methyl-2-(8-methyl-7-azaspiro[3.5]nonan-8-yl)-6-propan-2-ylcyclohepta[d][1,3]oxazole?
The canonical SMILES for 6-methyl-2-(8-methyl-7-azaspiro[3.5]nonan-8-yl)-6-propan-2-ylcyclohepta[d][1,3]oxazole is CC(C)C1(C)C=Cc2nc(C3(C)CC4(CCC4)CCN3)oc2C=C1.
What is the InChIKey of 6-methyl-2-(8-methyl-7-azaspiro[3.5]nonan-8-yl)-6-propan-2-ylcyclohepta[d][1,3]oxazole?
The InChIKey is CCMLZQCCWYMREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/c1-15(2)19(3)10-6-16-17(7-11-19)24-18(23-16)20(4)14-21(8-5-9-21)12-13-22-20/h6-7,10-11,15,22H,5,8-9,12-14H2,1-4H3.
What are the key properties of 6-methyl-2-(8-methyl-7-azaspiro[3.5]nonan-8-yl)-6-propan-2-ylcyclohepta[d][1,3]oxazole?
6-methyl-2-(8-methyl-7-azaspiro[3.5]nonan-8-yl)-6-propan-2-ylcyclohepta[d][1,3]oxazole has a molecular weight of 326.48 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(8-methyl-7-azaspiro[3.5]nonan-8-yl)-6-propan-2-ylcyclohepta[d][1,3]oxazole is sourced from PubChem (CID 142555378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).