4-methoxy-3H-1,3-benzoxazol-2-one

C8H7NO3 — CID 14295982

IUPAC4-methoxy-3H-1,3-benzoxazol-2-one
SMILESCOc1cccc2oc(=O)[nH]c12
InChIInChI=1S/C8H7NO3/c1-11-5-3-2-4-6-7(5)9-8(10)12-6/h2-4H,1H3,(H,9,10)
InChIKeyWHLOSPLLWFJNJL-UHFFFAOYSA-N
MW165.15 g/mol
LogP1.13
Rot. Bonds1

About 4-methoxy-3H-1,3-benzoxazol-2-one

4-methoxy-3H-1,3-benzoxazol-2-one (PubChem CID 14295982) has the molecular formula C8H7NO3 and a molecular weight of 165.15 g/mol. Its IUPAC name is 4-methoxy-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name4-methoxy-3H-1,3-benzoxazol-2-one
PubChem CID14295982
Molecular FormulaC8H7NO3
Molecular Weight165.15 g/mol
Exact Mass165.04
IUPAC Name4-methoxy-3H-1,3-benzoxazol-2-one
SMILESCOc1cccc2oc(=O)[nH]c12
InChIInChI=1S/C8H7NO3/c1-11-5-3-2-4-6-7(5)9-8(10)12-6/h2-4H,1H3,(H,9,10)
InChIKeyWHLOSPLLWFJNJL-UHFFFAOYSA-N
XLogP1.13
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3H-1,3-benzoxazol-2-one?
The IUPAC name of 4-methoxy-3H-1,3-benzoxazol-2-one (CID 14295982) is 4-methoxy-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 4-methoxy-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 4-methoxy-3H-1,3-benzoxazol-2-one is COc1cccc2oc(=O)[nH]c12.
What is the InChIKey of 4-methoxy-3H-1,3-benzoxazol-2-one?
The InChIKey is WHLOSPLLWFJNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3/c1-11-5-3-2-4-6-7(5)9-8(10)12-6/h2-4H,1H3,(H,9,10).
What are the key properties of 4-methoxy-3H-1,3-benzoxazol-2-one?
4-methoxy-3H-1,3-benzoxazol-2-one has a molecular weight of 165.15 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 14295982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).