2,7-dimethyl-7,8-dihydro-6H-cyclohepta[d][1,3]oxazole;ethane;methane

C13H23NO — CID 143503576

IUPAC2,7-dimethyl-7,8-dihydro-6H-cyclohepta[d][1,3]oxazole;ethane;methane
SMILESC.CC.Cc1nc2c(o1)CC(C)CC=C2
InChIInChI=1S/C10H13NO.C2H6.CH4/c1-7-4-3-5-9-10(6-7)12-8(2)11-9;1-2;/h3,5,7H,4,6H2,1-2H3;1-2H3;1H4
InChIKeyBJNUXVGBLBFPQM-UHFFFAOYSA-N
MW209.33 g/mol
LogP4.24
Rot. Bonds

About 2,7-dimethyl-7,8-dihydro-6H-cyclohepta[d][1,3]oxazole;ethane;methane

2,7-dimethyl-7,8-dihydro-6H-cyclohepta[d][1,3]oxazole;ethane;methane (PubChem CID 143503576) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2,7-dimethyl-7,8-dihydro-6H-cyclohepta[d][1,3]oxazole;ethane;methane.

Molecular Properties

Compound Name2,7-dimethyl-7,8-dihydro-6H-cyclohepta[d][1,3]oxazole;ethane;methane
PubChem CID143503576
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2,7-dimethyl-7,8-dihydro-6H-cyclohepta[d][1,3]oxazole;ethane;methane
SMILESC.CC.Cc1nc2c(o1)CC(C)CC=C2
InChIInChI=1S/C10H13NO.C2H6.CH4/c1-7-4-3-5-9-10(6-7)12-8(2)11-9;1-2;/h3,5,7H,4,6H2,1-2H3;1-2H3;1H4
InChIKeyBJNUXVGBLBFPQM-UHFFFAOYSA-N
XLogP4.24
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Allyl-4-butyl-2-methyl-1,3-oxazole
CID 384230
2-(5-Ethyl-7-fluorocyclohepta-1,3,6-trien-1-yl)-7-methyl-5-(trifluoromethyl)-8,9-dihydrocycloocta[d][1,3]oxazole
CID 123637538
5-Fluoro-2-methyl-6,7-dihydro-1,3-benzoxazole
CID 142292439
2-Ethyl-5-fluoro-6,7-dihydro-1,3-benzoxazole
CID 142292476
Ethane;2-methyl-5-(trifluoromethyl)-6,7-dihydro-1,3-benzoxazole
CID 142292477
2-Methyl-5-(trifluoromethyl)-6,7-dihydro-1,3-benzoxazole
CID 142292478
2,4,5-tris[(E)-dec-5-en-4-yl]-1,3-oxazole
CID 70478948
2,6-Dimethyl-6,7-dihydro-1,3-benzoxazole
CID 90363971
2,5-Dimethyl-6,7-dihydro-1,3-benzoxazole
CID 90363986
2,5-Dimethyl-4-pent-2-en-3-yl-1,3-oxazole
CID 90849363
3-Methyl-1-(2-methylcyclohepta[d][1,3]oxazol-8-yl)butan-2-one
CID 91014112
5-Butan-2-yl-4-(3-tert-butyl-3-methylpenta-1,4-dienyl)-2-methyl-1,3-oxazole
CID 91464198

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-7,8-dihydro-6H-cyclohepta[d][1,3]oxazole;ethane;methane?
The IUPAC name of 2,7-dimethyl-7,8-dihydro-6H-cyclohepta[d][1,3]oxazole;ethane;methane (CID 143503576) is 2,7-dimethyl-7,8-dihydro-6H-cyclohepta[d][1,3]oxazole;ethane;methane.
What is the SMILES notation for 2,7-dimethyl-7,8-dihydro-6H-cyclohepta[d][1,3]oxazole;ethane;methane?
The canonical SMILES for 2,7-dimethyl-7,8-dihydro-6H-cyclohepta[d][1,3]oxazole;ethane;methane is C.CC.Cc1nc2c(o1)CC(C)CC=C2.
What is the InChIKey of 2,7-dimethyl-7,8-dihydro-6H-cyclohepta[d][1,3]oxazole;ethane;methane?
The InChIKey is BJNUXVGBLBFPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.C2H6.CH4/c1-7-4-3-5-9-10(6-7)12-8(2)11-9;1-2;/h3,5,7H,4,6H2,1-2H3;1-2H3;1H4.
What are the key properties of 2,7-dimethyl-7,8-dihydro-6H-cyclohepta[d][1,3]oxazole;ethane;methane?
2,7-dimethyl-7,8-dihydro-6H-cyclohepta[d][1,3]oxazole;ethane;methane has a molecular weight of 209.33 g/mol, XLogP of 4.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-7,8-dihydro-6H-cyclohepta[d][1,3]oxazole;ethane;methane is sourced from PubChem (CID 143503576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).