7-amino-5-methoxy-3-methyl-1,3-benzoxazol-2-one

C9H10N2O3 — CID 84665255

IUPAC7-amino-5-methoxy-3-methyl-1,3-benzoxazol-2-one
SMILESCOc1cc(N)c2oc(=O)n(C)c2c1
InChIInChI=1S/C9H10N2O3/c1-11-7-4-5(13-2)3-6(10)8(7)14-9(11)12/h3-4H,10H2,1-2H3
InChIKeyWGIIFVABTXIRMN-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.72
Rot. Bonds1

About 7-amino-5-methoxy-3-methyl-1,3-benzoxazol-2-one

7-amino-5-methoxy-3-methyl-1,3-benzoxazol-2-one (PubChem CID 84665255) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 7-amino-5-methoxy-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name7-amino-5-methoxy-3-methyl-1,3-benzoxazol-2-one
PubChem CID84665255
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name7-amino-5-methoxy-3-methyl-1,3-benzoxazol-2-one
SMILESCOc1cc(N)c2oc(=O)n(C)c2c1
InChIInChI=1S/C9H10N2O3/c1-11-7-4-5(13-2)3-6(10)8(7)14-9(11)12/h3-4H,10H2,1-2H3
InChIKeyWGIIFVABTXIRMN-UHFFFAOYSA-N
XLogP0.72
TPSA70.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-5-methoxy-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 7-amino-5-methoxy-3-methyl-1,3-benzoxazol-2-one (CID 84665255) is 7-amino-5-methoxy-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 7-amino-5-methoxy-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 7-amino-5-methoxy-3-methyl-1,3-benzoxazol-2-one is COc1cc(N)c2oc(=O)n(C)c2c1.
What is the InChIKey of 7-amino-5-methoxy-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is WGIIFVABTXIRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-11-7-4-5(13-2)3-6(10)8(7)14-9(11)12/h3-4H,10H2,1-2H3.
What are the key properties of 7-amino-5-methoxy-3-methyl-1,3-benzoxazol-2-one?
7-amino-5-methoxy-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 194.19 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-methoxy-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 84665255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).