4-methyl-1,2-benzoxazole

C8H7NO — CID 583714

IUPAC4-methyl-1,2-benzoxazole
SMILESCc1cccc2oncc12
InChIInChI=1S/C8H7NO/c1-6-3-2-4-8-7(6)5-9-10-8/h2-5H,1H3
InChIKeyJZQZYXDKEKPSPS-UHFFFAOYSA-N
MW133.15 g/mol
LogP2.14
Rot. Bonds

About 4-methyl-1,2-benzoxazole

4-methyl-1,2-benzoxazole (PubChem CID 583714) has the molecular formula C8H7NO and a molecular weight of 133.15 g/mol. Its IUPAC name is 4-methyl-1,2-benzoxazole.

Molecular Properties

Compound Name4-methyl-1,2-benzoxazole
PubChem CID583714
Molecular FormulaC8H7NO
Molecular Weight133.15 g/mol
Exact Mass133.05
IUPAC Name4-methyl-1,2-benzoxazole
SMILESCc1cccc2oncc12
InChIInChI=1S/C8H7NO/c1-6-3-2-4-8-7(6)5-9-10-8/h2-5H,1H3
InChIKeyJZQZYXDKEKPSPS-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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2-benzoxazole?
The IUPAC name of 4-methyl-1,2-benzoxazole (CID 583714) is 4-methyl-1,2-benzoxazole.
What is the SMILES notation for 4-methyl-1,2-benzoxazole?
The canonical SMILES for 4-methyl-1,2-benzoxazole is Cc1cccc2oncc12.
What is the InChIKey of 4-methyl-1,2-benzoxazole?
The InChIKey is JZQZYXDKEKPSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO/c1-6-3-2-4-8-7(6)5-9-10-8/h2-5H,1H3.
What are the key properties of 4-methyl-1,2-benzoxazole?
4-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 4-methyl-1,2-benzoxazole is sourced from PubChem (CID 583714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).