ethane;5-methyl-3,7-dihydro-2H-cyclohepta[d][1,3]oxazole

C13H23NO — CID 143256258

IUPACethane;5-methyl-3,7-dihydro-2H-cyclohepta[d][1,3]oxazole
SMILESCC.CC.CC1=CCC=C2OCNC2=C1
InChIInChI=1S/C9H11NO.2C2H6/c1-7-3-2-4-9-8(5-7)10-6-11-9;2*1-2/h3-5,10H,2,6H2,1H3;2*1-2H3
InChIKeyNCNKNGVGRFFFCP-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.73
Rot. Bonds

About ethane;5-methyl-3,7-dihydro-2H-cyclohepta[d][1,3]oxazole

ethane;5-methyl-3,7-dihydro-2H-cyclohepta[d][1,3]oxazole (PubChem CID 143256258) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is ethane;5-methyl-3,7-dihydro-2H-cyclohepta[d][1,3]oxazole.

Molecular Properties

Compound Nameethane;5-methyl-3,7-dihydro-2H-cyclohepta[d][1,3]oxazole
PubChem CID143256258
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Nameethane;5-methyl-3,7-dihydro-2H-cyclohepta[d][1,3]oxazole
SMILESCC.CC.CC1=CCC=C2OCNC2=C1
InChIInChI=1S/C9H11NO.2C2H6/c1-7-3-2-4-9-8(5-7)10-6-11-9;2*1-2/h3-5,10H,2,6H2,1H3;2*1-2H3
InChIKeyNCNKNGVGRFFFCP-UHFFFAOYSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;5-methyl-3,7-dihydro-2H-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

(3E,5Z)-3-methoxy-N,5-dimethylhepta-1,3,5-trien-2-amine
CID 137427656
5,5-Dimethyl-2,3-dihydrocyclohepta[d][1,3]oxazole
CID 138722222
ethane;(4E,5E)-4-ethylidene-5-propylidene-1,3-oxazolidine
CID 142300254
ethane;7-methoxy-N,4-dimethylcyclohepta-1,4,6-trien-1-amine
CID 142474982
ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-oxazolidine
CID 143256828
ethane;(4E,5E)-5-ethylidene-4-prop-2-enylidene-1,3-oxazolidine
CID 143817261
ethane;(4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-oxazolidine
CID 144877979
Ethane;2,3,5,6-tetrahydro-1,3-benzoxazole
CID 145267149
Ethane;5-methyl-5-propyl-2,3-dihydrocyclohepta[d][1,3]oxazole
CID 145605959
(5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-oxazolidine
CID 162723403
ethane;(3E)-2-methoxy-N,5-dimethylhexa-1,3,5-trien-3-amine
CID 163229690
(3aE,9E)-6-methyl-2,3-dihydrocycloocta[d][1,3]oxazole
CID 173687881

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-3,7-dihydro-2H-cyclohepta[d][1,3]oxazole?
The IUPAC name of ethane;5-methyl-3,7-dihydro-2H-cyclohepta[d][1,3]oxazole (CID 143256258) is ethane;5-methyl-3,7-dihydro-2H-cyclohepta[d][1,3]oxazole.
What is the SMILES notation for ethane;5-methyl-3,7-dihydro-2H-cyclohepta[d][1,3]oxazole?
The canonical SMILES for ethane;5-methyl-3,7-dihydro-2H-cyclohepta[d][1,3]oxazole is CC.CC.CC1=CCC=C2OCNC2=C1.
What is the InChIKey of ethane;5-methyl-3,7-dihydro-2H-cyclohepta[d][1,3]oxazole?
The InChIKey is NCNKNGVGRFFFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.2C2H6/c1-7-3-2-4-9-8(5-7)10-6-11-9;2*1-2/h3-5,10H,2,6H2,1H3;2*1-2H3.
What are the key properties of ethane;5-methyl-3,7-dihydro-2H-cyclohepta[d][1,3]oxazole?
ethane;5-methyl-3,7-dihydro-2H-cyclohepta[d][1,3]oxazole has a molecular weight of 209.33 g/mol, XLogP of 3.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-3,7-dihydro-2H-cyclohepta[d][1,3]oxazole is sourced from PubChem (CID 143256258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).