2,3-dihydro-1,2-benzoxazol-7-ol

C7H7NO2 — CID 58782319

IUPAC2,3-dihydro-1,2-benzoxazol-7-ol
SMILESOc1cccc2c1ONC2
InChIInChI=1S/C7H7NO2/c9-6-3-1-2-5-4-8-10-7(5)6/h1-3,8-9H,4H2
InChIKeyMNMFUOMDQIJKLL-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.79
Rot. Bonds

About 2,3-dihydro-1,2-benzoxazol-7-ol

2,3-dihydro-1,2-benzoxazol-7-ol (PubChem CID 58782319) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is 2,3-dihydro-1,2-benzoxazol-7-ol.

Molecular Properties

Compound Name2,3-dihydro-1,2-benzoxazol-7-ol
PubChem CID58782319
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name2,3-dihydro-1,2-benzoxazol-7-ol
SMILESOc1cccc2c1ONC2
InChIInChI=1S/C7H7NO2/c9-6-3-1-2-5-4-8-10-7(5)6/h1-3,8-9H,4H2
InChIKeyMNMFUOMDQIJKLL-UHFFFAOYSA-N
XLogP0.79
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,2-benzoxazol-7-ol?
The IUPAC name of 2,3-dihydro-1,2-benzoxazol-7-ol (CID 58782319) is 2,3-dihydro-1,2-benzoxazol-7-ol.
What is the SMILES notation for 2,3-dihydro-1,2-benzoxazol-7-ol?
The canonical SMILES for 2,3-dihydro-1,2-benzoxazol-7-ol is Oc1cccc2c1ONC2.
What is the InChIKey of 2,3-dihydro-1,2-benzoxazol-7-ol?
The InChIKey is MNMFUOMDQIJKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c9-6-3-1-2-5-4-8-10-7(5)6/h1-3,8-9H,4H2.
What are the key properties of 2,3-dihydro-1,2-benzoxazol-7-ol?
2,3-dihydro-1,2-benzoxazol-7-ol has a molecular weight of 137.14 g/mol, XLogP of 0.79, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,2-benzoxazol-7-ol is sourced from PubChem (CID 58782319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).