4-methyl-1,2-benzoxazol-3-one

C8H7NO2 — CID 23063978

IUPAC4-methyl-1,2-benzoxazol-3-one
SMILESCc1cccc2o[nH]c(=O)c12
InChIInChI=1S/C8H7NO2/c1-5-3-2-4-6-7(5)8(10)9-11-6/h2-4H,1H3,(H,9,10)
InChIKeyUGACBUZJRUUUFQ-UHFFFAOYSA-N
MW149.15 g/mol
LogP1.43
Rot. Bonds

About 4-methyl-1,2-benzoxazol-3-one

4-methyl-1,2-benzoxazol-3-one (PubChem CID 23063978) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is 4-methyl-1,2-benzoxazol-3-one.

Molecular Properties

Compound Name4-methyl-1,2-benzoxazol-3-one
PubChem CID23063978
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Name4-methyl-1,2-benzoxazol-3-one
SMILESCc1cccc2o[nH]c(=O)c12
InChIInChI=1S/C8H7NO2/c1-5-3-2-4-6-7(5)8(10)9-11-6/h2-4H,1H3,(H,9,10)
InChIKeyUGACBUZJRUUUFQ-UHFFFAOYSA-N
XLogP1.43
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2-benzoxazol-3-one?
The IUPAC name of 4-methyl-1,2-benzoxazol-3-one (CID 23063978) is 4-methyl-1,2-benzoxazol-3-one.
What is the SMILES notation for 4-methyl-1,2-benzoxazol-3-one?
The canonical SMILES for 4-methyl-1,2-benzoxazol-3-one is Cc1cccc2o[nH]c(=O)c12.
What is the InChIKey of 4-methyl-1,2-benzoxazol-3-one?
The InChIKey is UGACBUZJRUUUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2/c1-5-3-2-4-6-7(5)8(10)9-11-6/h2-4H,1H3,(H,9,10).
What are the key properties of 4-methyl-1,2-benzoxazol-3-one?
4-methyl-1,2-benzoxazol-3-one has a molecular weight of 149.15 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2-benzoxazol-3-one is sourced from PubChem (CID 23063978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).