5-methyl-1,3-benzoxazole

C8H7NO — CID 2724970

IUPAC5-methyl-1,3-benzoxazole
SMILESCc1ccc2ocnc2c1
InChIInChI=1S/C8H7NO/c1-6-2-3-8-7(4-6)9-5-10-8/h2-5H,1H3
InChIKeyUBIAVBGIRDRQLD-UHFFFAOYSA-N
MW133.15 g/mol
LogP2.14
Rot. Bonds

About 5-methyl-1,3-benzoxazole

5-methyl-1,3-benzoxazole (PubChem CID 2724970) has the molecular formula C8H7NO and a molecular weight of 133.15 g/mol. Its IUPAC name is 5-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name5-methyl-1,3-benzoxazole
PubChem CID2724970
Molecular FormulaC8H7NO
Molecular Weight133.15 g/mol
Exact Mass133.05
IUPAC Name5-methyl-1,3-benzoxazole
SMILESCc1ccc2ocnc2c1
InChIInChI=1S/C8H7NO/c1-6-2-3-8-7(4-6)9-5-10-8/h2-5H,1H3
InChIKeyUBIAVBGIRDRQLD-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 5-methyl-1,3-benzoxazole?
The IUPAC name of 5-methyl-1,3-benzoxazole (CID 2724970) is 5-methyl-1,3-benzoxazole.
What is the SMILES notation for 5-methyl-1,3-benzoxazole?
The canonical SMILES for 5-methyl-1,3-benzoxazole is Cc1ccc2ocnc2c1.
What is the InChIKey of 5-methyl-1,3-benzoxazole?
The InChIKey is UBIAVBGIRDRQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO/c1-6-2-3-8-7(4-6)9-5-10-8/h2-5H,1H3.
What are the key properties of 5-methyl-1,3-benzoxazole?
5-methyl-1,3-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 5-methyl-1,3-benzoxazole is sourced from PubChem (CID 2724970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).