2-methyl-4H-1,3-benzoxazol-5-one

C8H7NO2 — CID 70067561

IUPAC2-methyl-4H-1,3-benzoxazol-5-one
SMILESCc1nc2c(o1)C=CC(=O)C2
InChIInChI=1S/C8H7NO2/c1-5-9-7-4-6(10)2-3-8(7)11-5/h2-3H,4H2,1H3
InChIKeySAFSWGFSWGDNFS-UHFFFAOYSA-N
MW149.15 g/mol
LogP1.12
Rot. Bonds

About 2-methyl-4H-1,3-benzoxazol-5-one

2-methyl-4H-1,3-benzoxazol-5-one (PubChem CID 70067561) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is 2-methyl-4H-1,3-benzoxazol-5-one.

Molecular Properties

Compound Name2-methyl-4H-1,3-benzoxazol-5-one
PubChem CID70067561
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Name2-methyl-4H-1,3-benzoxazol-5-one
SMILESCc1nc2c(o1)C=CC(=O)C2
InChIInChI=1S/C8H7NO2/c1-5-9-7-4-6(10)2-3-8(7)11-5/h2-3H,4H2,1H3
InChIKeySAFSWGFSWGDNFS-UHFFFAOYSA-N
XLogP1.12
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4H-1,3-benzoxazol-5-one?
The IUPAC name of 2-methyl-4H-1,3-benzoxazol-5-one (CID 70067561) is 2-methyl-4H-1,3-benzoxazol-5-one.
What is the SMILES notation for 2-methyl-4H-1,3-benzoxazol-5-one?
The canonical SMILES for 2-methyl-4H-1,3-benzoxazol-5-one is Cc1nc2c(o1)C=CC(=O)C2.
What is the InChIKey of 2-methyl-4H-1,3-benzoxazol-5-one?
The InChIKey is SAFSWGFSWGDNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2/c1-5-9-7-4-6(10)2-3-8(7)11-5/h2-3H,4H2,1H3.
What are the key properties of 2-methyl-4H-1,3-benzoxazol-5-one?
2-methyl-4H-1,3-benzoxazol-5-one has a molecular weight of 149.15 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4H-1,3-benzoxazol-5-one is sourced from PubChem (CID 70067561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).