3-amino-1,3-benzoxazol-2-one

C7H6N2O2 — CID 11412466

IUPAC3-amino-1,3-benzoxazol-2-one
SMILESNn1c(=O)oc2ccccc21
InChIInChI=1S/C7H6N2O2/c8-9-5-3-1-2-4-6(5)11-7(9)10/h1-4H,8H2
InChIKeyQNYMGRSWHDGVEL-UHFFFAOYSA-N
MW150.14 g/mol
LogP0.31
Rot. Bonds

About 3-amino-1,3-benzoxazol-2-one

3-amino-1,3-benzoxazol-2-one (PubChem CID 11412466) has the molecular formula C7H6N2O2 and a molecular weight of 150.14 g/mol. Its IUPAC name is 3-amino-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-amino-1,3-benzoxazol-2-one
PubChem CID11412466
Molecular FormulaC7H6N2O2
Molecular Weight150.14 g/mol
Exact Mass150.04
IUPAC Name3-amino-1,3-benzoxazol-2-one
SMILESNn1c(=O)oc2ccccc21
InChIInChI=1S/C7H6N2O2/c8-9-5-3-1-2-4-6(5)11-7(9)10/h1-4H,8H2
InChIKeyQNYMGRSWHDGVEL-UHFFFAOYSA-N
XLogP0.31
TPSA61.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,3-benzoxazol-2-one?
The IUPAC name of 3-amino-1,3-benzoxazol-2-one (CID 11412466) is 3-amino-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-amino-1,3-benzoxazol-2-one?
The canonical SMILES for 3-amino-1,3-benzoxazol-2-one is Nn1c(=O)oc2ccccc21.
What is the InChIKey of 3-amino-1,3-benzoxazol-2-one?
The InChIKey is QNYMGRSWHDGVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2/c8-9-5-3-1-2-4-6(5)11-7(9)10/h1-4H,8H2.
What are the key properties of 3-amino-1,3-benzoxazol-2-one?
3-amino-1,3-benzoxazol-2-one has a molecular weight of 150.14 g/mol, XLogP of 0.31, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,3-benzoxazol-2-one is sourced from PubChem (CID 11412466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).