6-methyl-8H-cyclohepta[d][1,3]oxazole

C9H9NO — CID 143344867

IUPAC6-methyl-8H-cyclohepta[d][1,3]oxazole
SMILESCC1=CCc2ocnc2C=C1
InChIInChI=1S/C9H9NO/c1-7-2-4-8-9(5-3-7)11-6-10-8/h2-4,6H,5H2,1H3
InChIKeyLHNKEGMCWFZVMU-UHFFFAOYSA-N
MW147.18 g/mol
LogP2.19
Rot. Bonds

About 6-methyl-8H-cyclohepta[d][1,3]oxazole

6-methyl-8H-cyclohepta[d][1,3]oxazole (PubChem CID 143344867) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 6-methyl-8H-cyclohepta[d][1,3]oxazole.

Molecular Properties

Compound Name6-methyl-8H-cyclohepta[d][1,3]oxazole
PubChem CID143344867
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name6-methyl-8H-cyclohepta[d][1,3]oxazole
SMILESCC1=CCc2ocnc2C=C1
InChIInChI=1S/C9H9NO/c1-7-2-4-8-9(5-3-7)11-6-10-8/h2-4,6H,5H2,1H3
InChIKeyLHNKEGMCWFZVMU-UHFFFAOYSA-N
XLogP2.19
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-methyl-8H-cyclohepta[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

Related Compounds

Cyclohepta[d][1,3]oxazol-8-one
CID 13165453
6,7-Dihydro-1,3-benzoxazole
CID 20558214
5-Tert-butyl-4-ethenyl-1,3-oxazole
CID 21031486
6H-[1,3]oxazolo[5,4-c]azepine
CID 66579764
4,5-Bis(prop-2-enyl)-1,3-oxazole
CID 70599366
(Z)-N-methyl-1-(4-methyl-1,3-oxazol-5-yl)but-2-en-1-imine
CID 88961157
5-Tert-butyl-4-(2-methylprop-1-enyl)-1,3-oxazole
CID 89056359
7-methyl-6H-cyclohepta[d][1,3]oxazole
CID 89574928
[4-[(Z)-prop-1-enyl]-1,3-oxazol-5-yl]methanimine
CID 89738510
5-ethenyl-4-[(Z)-prop-1-enyl]-1,3-oxazole
CID 89828434
6H-cyclohepta[d][1,3]oxazole
CID 90920052
6-Ethyl-6-methylcyclohepta[d][1,3]oxazole
CID 91022016

Frequently Asked Questions

What is the IUPAC name of 6-methyl-8H-cyclohepta[d][1,3]oxazole?
The IUPAC name of 6-methyl-8H-cyclohepta[d][1,3]oxazole (CID 143344867) is 6-methyl-8H-cyclohepta[d][1,3]oxazole.
What is the SMILES notation for 6-methyl-8H-cyclohepta[d][1,3]oxazole?
The canonical SMILES for 6-methyl-8H-cyclohepta[d][1,3]oxazole is CC1=CCc2ocnc2C=C1.
What is the InChIKey of 6-methyl-8H-cyclohepta[d][1,3]oxazole?
The InChIKey is LHNKEGMCWFZVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-7-2-4-8-9(5-3-7)11-6-10-8/h2-4,6H,5H2,1H3.
What are the key properties of 6-methyl-8H-cyclohepta[d][1,3]oxazole?
6-methyl-8H-cyclohepta[d][1,3]oxazole has a molecular weight of 147.18 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-8H-cyclohepta[d][1,3]oxazole is sourced from PubChem (CID 143344867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).