3-methyl-1,2-benzoxazole

C8H7NO — CID 4068104

IUPAC3-methyl-1,2-benzoxazole
SMILESCc1noc2ccccc12
InChIInChI=1S/C8H7NO/c1-6-7-4-2-3-5-8(7)10-9-6/h2-5H,1H3
InChIKeyGAUKCDPSYQUYQL-UHFFFAOYSA-N
MW133.15 g/mol
LogP2.14
Rot. Bonds

About 3-methyl-1,2-benzoxazole

3-methyl-1,2-benzoxazole (PubChem CID 4068104) has the molecular formula C8H7NO and a molecular weight of 133.15 g/mol. Its IUPAC name is 3-methyl-1,2-benzoxazole.

Molecular Properties

Compound Name3-methyl-1,2-benzoxazole
PubChem CID4068104
Molecular FormulaC8H7NO
Molecular Weight133.15 g/mol
Exact Mass133.05
IUPAC Name3-methyl-1,2-benzoxazole
SMILESCc1noc2ccccc12
InChIInChI=1S/C8H7NO/c1-6-7-4-2-3-5-8(7)10-9-6/h2-5H,1H3
InChIKeyGAUKCDPSYQUYQL-UHFFFAOYSA-N
XLogP2.14
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Zonisamide
CID 5734
2,1-Benzisoxazole
CID 67498
3,5-Diphenylisoxazole
CID 137292
3,5-Dimethyl-4-phenylisoxazole
CID 5325760
1,2-Benzisoxazole
CID 71073
3-Methyl-5-phenylisoxazole
CID 136804
5-Methyl-3,4-diphenyl-isoxazole
CID 9991673
3-(4-Piperidyl)-6-fluoro-1,2-benzisoxazole
CID 849421
5-Methyl-3-phenyl-1,2-oxazole
CID 136803
3,4-Diphenyl-5-ethylisoxazole
CID 10377376
Isoxazole, 5-(4-methylphenyl)-3-phenyl-
CID 296680
(E)-3-(2-(1-benzylpiperidin-4-yl)vinyl)benzo[d]isoxazole
CID 9901561

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2-benzoxazole?
The IUPAC name of 3-methyl-1,2-benzoxazole (CID 4068104) is 3-methyl-1,2-benzoxazole.
What is the SMILES notation for 3-methyl-1,2-benzoxazole?
The canonical SMILES for 3-methyl-1,2-benzoxazole is Cc1noc2ccccc12.
What is the InChIKey of 3-methyl-1,2-benzoxazole?
The InChIKey is GAUKCDPSYQUYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO/c1-6-7-4-2-3-5-8(7)10-9-6/h2-5H,1H3.
What are the key properties of 3-methyl-1,2-benzoxazole?
3-methyl-1,2-benzoxazole has a molecular weight of 133.15 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,2-benzoxazole is sourced from PubChem (CID 4068104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).