2,6-dimethyl-6,7-dihydro-1,3-benzoxazole;ethane

C11H17NO — CID 142986992

IUPAC2,6-dimethyl-6,7-dihydro-1,3-benzoxazole;ethane
SMILESCC.Cc1nc2c(o1)CC(C)C=C2
InChIInChI=1S/C9H11NO.C2H6/c1-6-3-4-8-9(5-6)11-7(2)10-8;1-2/h3-4,6H,5H2,1-2H3;1-2H3
InChIKeyIHEWKPRQKDQWBU-UHFFFAOYSA-N
MW179.26 g/mol
LogP3.21
Rot. Bonds

About 2,6-dimethyl-6,7-dihydro-1,3-benzoxazole;ethane

2,6-dimethyl-6,7-dihydro-1,3-benzoxazole;ethane (PubChem CID 142986992) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2,6-dimethyl-6,7-dihydro-1,3-benzoxazole;ethane.

Molecular Properties

Compound Name2,6-dimethyl-6,7-dihydro-1,3-benzoxazole;ethane
PubChem CID142986992
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2,6-dimethyl-6,7-dihydro-1,3-benzoxazole;ethane
SMILESCC.Cc1nc2c(o1)CC(C)C=C2
InChIInChI=1S/C9H11NO.C2H6/c1-6-3-4-8-9(5-6)11-7(2)10-8;1-2/h3-4,6H,5H2,1-2H3;1-2H3
InChIKeyIHEWKPRQKDQWBU-UHFFFAOYSA-N
XLogP3.21
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-5-(2-methylidenebut-3-enyl)-2-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-1,3-oxazole
CID 134580655
2-Butyl-6,7-dihydro-1,3-benzoxazole-6-carbaldehyde;ethane;1,1,1-trifluoropropane
CID 142016946
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-Fluoro-6,7-dihydro-1,3-benzoxazole
CID 144710526
2-methyl-7H-1,3-benzoxazol-6-one
CID 21478685
2-prop-1-en-2-yl-6H-1,3-benzoxazol-7-one
CID 67873136
2,4-Dimethyl-5-(2-methylpropyl)-1,3-oxazole
CID 68031543
2,6-Dimethyl-6,7-dihydro-1,3-benzoxazole
CID 90363971
2,5-Dimethyl-4,5-dihydro-1,3-benzoxazole
CID 90363977

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-6,7-dihydro-1,3-benzoxazole;ethane?
The IUPAC name of 2,6-dimethyl-6,7-dihydro-1,3-benzoxazole;ethane (CID 142986992) is 2,6-dimethyl-6,7-dihydro-1,3-benzoxazole;ethane.
What is the SMILES notation for 2,6-dimethyl-6,7-dihydro-1,3-benzoxazole;ethane?
The canonical SMILES for 2,6-dimethyl-6,7-dihydro-1,3-benzoxazole;ethane is CC.Cc1nc2c(o1)CC(C)C=C2.
What is the InChIKey of 2,6-dimethyl-6,7-dihydro-1,3-benzoxazole;ethane?
The InChIKey is IHEWKPRQKDQWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.C2H6/c1-6-3-4-8-9(5-6)11-7(2)10-8;1-2/h3-4,6H,5H2,1-2H3;1-2H3.
What are the key properties of 2,6-dimethyl-6,7-dihydro-1,3-benzoxazole;ethane?
2,6-dimethyl-6,7-dihydro-1,3-benzoxazole;ethane has a molecular weight of 179.26 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-6,7-dihydro-1,3-benzoxazole;ethane is sourced from PubChem (CID 142986992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).