3-methyl-6,7-dihydro-2H-1,3-benzoxazole

C8H11NO — CID 143500995

IUPAC3-methyl-6,7-dihydro-2H-1,3-benzoxazole
SMILESCN1COC2=C1C=CCC2
InChIInChI=1S/C8H11NO/c1-9-6-10-8-5-3-2-4-7(8)9/h2,4H,3,5-6H2,1H3
InChIKeyJDWFYSYEYATGMZ-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.47
Rot. Bonds

About 3-methyl-6,7-dihydro-2H-1,3-benzoxazole

3-methyl-6,7-dihydro-2H-1,3-benzoxazole (PubChem CID 143500995) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 3-methyl-6,7-dihydro-2H-1,3-benzoxazole.

Molecular Properties

Compound Name3-methyl-6,7-dihydro-2H-1,3-benzoxazole
PubChem CID143500995
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name3-methyl-6,7-dihydro-2H-1,3-benzoxazole
SMILESCN1COC2=C1C=CCC2
InChIInChI=1S/C8H11NO/c1-9-6-10-8-5-3-2-4-7(8)9/h2,4H,3,5-6H2,1H3
InChIKeyJDWFYSYEYATGMZ-UHFFFAOYSA-N
XLogP1.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-methoxy-N-methylcyclohexa-1,5-dien-1-amine;hydroiodide
CID 143262691
3-Methyl-6,7-dihydro-1,3-benzoxazole-2-thione
CID 163439065
CID 173725389
CID 173725389
N-ethyl-2-methoxy-N-methylcyclohexa-1,5-dien-1-amine
CID 143262692

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6,7-dihydro-2H-1,3-benzoxazole?
The IUPAC name of 3-methyl-6,7-dihydro-2H-1,3-benzoxazole (CID 143500995) is 3-methyl-6,7-dihydro-2H-1,3-benzoxazole.
What is the SMILES notation for 3-methyl-6,7-dihydro-2H-1,3-benzoxazole?
The canonical SMILES for 3-methyl-6,7-dihydro-2H-1,3-benzoxazole is CN1COC2=C1C=CCC2.
What is the InChIKey of 3-methyl-6,7-dihydro-2H-1,3-benzoxazole?
The InChIKey is JDWFYSYEYATGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-9-6-10-8-5-3-2-4-7(8)9/h2,4H,3,5-6H2,1H3.
What are the key properties of 3-methyl-6,7-dihydro-2H-1,3-benzoxazole?
3-methyl-6,7-dihydro-2H-1,3-benzoxazole has a molecular weight of 137.18 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6,7-dihydro-2H-1,3-benzoxazole is sourced from PubChem (CID 143500995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).