6-methyl-2-(9-methyl-7-azaspiro[3.6]dec-7-en-9-yl)-6-propan-2-ylcyclohepta[d][1,3]oxazole

C22H30N2O — CID 138553988

IUPAC6-methyl-2-(9-methyl-7-azaspiro[3.6]dec-7-en-9-yl)-6-propan-2-ylcyclohepta[d][1,3]oxazole
SMILESCC(C)C1(C)C=Cc2nc(C3(C)C=NCCC4(CCC4)C3)oc2C=C1
InChIInChI=1S/C22H30N2O/c1-16(2)20(3)10-6-17-18(7-11-20)25-19(24-17)21(4)14-22(8-5-9-22)12-13-23-15-21/h6-7,10-11,15-16H,5,8-9,12-14H2,1-4H3
InChIKeyYVNARRPNRNKUBB-UHFFFAOYSA-N
MW338.50 g/mol
LogP5.67
Rot. Bonds2

About 6-methyl-2-(9-methyl-7-azaspiro[3.6]dec-7-en-9-yl)-6-propan-2-ylcyclohepta[d][1,3]oxazole

6-methyl-2-(9-methyl-7-azaspiro[3.6]dec-7-en-9-yl)-6-propan-2-ylcyclohepta[d][1,3]oxazole (PubChem CID 138553988) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 6-methyl-2-(9-methyl-7-azaspiro[3.6]dec-7-en-9-yl)-6-propan-2-ylcyclohepta[d][1,3]oxazole.

Molecular Properties

Compound Name6-methyl-2-(9-methyl-7-azaspiro[3.6]dec-7-en-9-yl)-6-propan-2-ylcyclohepta[d][1,3]oxazole
PubChem CID138553988
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name6-methyl-2-(9-methyl-7-azaspiro[3.6]dec-7-en-9-yl)-6-propan-2-ylcyclohepta[d][1,3]oxazole
SMILESCC(C)C1(C)C=Cc2nc(C3(C)C=NCCC4(CCC4)C3)oc2C=C1
InChIInChI=1S/C22H30N2O/c1-16(2)20(3)10-6-17-18(7-11-20)25-19(24-17)21(4)14-22(8-5-9-22)12-13-23-15-21/h6-7,10-11,15-16H,5,8-9,12-14H2,1-4H3
InChIKeyYVNARRPNRNKUBB-UHFFFAOYSA-N
XLogP5.67
TPSA38.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.50
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-methyl-2-(9-methyl-7-azaspiro[3.6]dec-7-en-9-yl)-6-propan-2-ylcyclohepta[d][1,3]oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(9-methyl-7-azaspiro[3.6]dec-7-en-9-yl)-6-propan-2-ylcyclohepta[d][1,3]oxazole?
The IUPAC name of 6-methyl-2-(9-methyl-7-azaspiro[3.6]dec-7-en-9-yl)-6-propan-2-ylcyclohepta[d][1,3]oxazole (CID 138553988) is 6-methyl-2-(9-methyl-7-azaspiro[3.6]dec-7-en-9-yl)-6-propan-2-ylcyclohepta[d][1,3]oxazole.
What is the SMILES notation for 6-methyl-2-(9-methyl-7-azaspiro[3.6]dec-7-en-9-yl)-6-propan-2-ylcyclohepta[d][1,3]oxazole?
The canonical SMILES for 6-methyl-2-(9-methyl-7-azaspiro[3.6]dec-7-en-9-yl)-6-propan-2-ylcyclohepta[d][1,3]oxazole is CC(C)C1(C)C=Cc2nc(C3(C)C=NCCC4(CCC4)C3)oc2C=C1.
What is the InChIKey of 6-methyl-2-(9-methyl-7-azaspiro[3.6]dec-7-en-9-yl)-6-propan-2-ylcyclohepta[d][1,3]oxazole?
The InChIKey is YVNARRPNRNKUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-16(2)20(3)10-6-17-18(7-11-20)25-19(24-17)21(4)14-22(8-5-9-22)12-13-23-15-21/h6-7,10-11,15-16H,5,8-9,12-14H2,1-4H3.
What are the key properties of 6-methyl-2-(9-methyl-7-azaspiro[3.6]dec-7-en-9-yl)-6-propan-2-ylcyclohepta[d][1,3]oxazole?
6-methyl-2-(9-methyl-7-azaspiro[3.6]dec-7-en-9-yl)-6-propan-2-ylcyclohepta[d][1,3]oxazole has a molecular weight of 338.50 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(9-methyl-7-azaspiro[3.6]dec-7-en-9-yl)-6-propan-2-ylcyclohepta[d][1,3]oxazole is sourced from PubChem (CID 138553988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).