2-[(4-amino-1,3-benzoxazol-2-yl)amino]ethanol

C9H11N3O2 — CID 79890543

IUPAC2-[(4-amino-1,3-benzoxazol-2-yl)amino]ethanol
SMILESNc1cccc2oc(NCCO)nc12
InChIInChI=1S/C9H11N3O2/c10-6-2-1-3-7-8(6)12-9(14-7)11-4-5-13/h1-3,13H,4-5,10H2,(H,11,12)
InChIKeyAQBZULQIKZJQGE-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.81
Rot. Bonds3

About 2-[(4-amino-1,3-benzoxazol-2-yl)amino]ethanol

2-[(4-amino-1,3-benzoxazol-2-yl)amino]ethanol (PubChem CID 79890543) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-[(4-amino-1,3-benzoxazol-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-amino-1,3-benzoxazol-2-yl)amino]ethanol
PubChem CID79890543
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name2-[(4-amino-1,3-benzoxazol-2-yl)amino]ethanol
SMILESNc1cccc2oc(NCCO)nc12
InChIInChI=1S/C9H11N3O2/c10-6-2-1-3-7-8(6)12-9(14-7)11-4-5-13/h1-3,13H,4-5,10H2,(H,11,12)
InChIKeyAQBZULQIKZJQGE-UHFFFAOYSA-N
XLogP0.81
TPSA84.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.81
H-Bond Donors ≤ 53
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 2-[(4-amino-1,3-benzoxazol-2-yl)amino]ethanol?
The IUPAC name of 2-[(4-amino-1,3-benzoxazol-2-yl)amino]ethanol (CID 79890543) is 2-[(4-amino-1,3-benzoxazol-2-yl)amino]ethanol.
What is the SMILES notation for 2-[(4-amino-1,3-benzoxazol-2-yl)amino]ethanol?
The canonical SMILES for 2-[(4-amino-1,3-benzoxazol-2-yl)amino]ethanol is Nc1cccc2oc(NCCO)nc12.
What is the InChIKey of 2-[(4-amino-1,3-benzoxazol-2-yl)amino]ethanol?
The InChIKey is AQBZULQIKZJQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c10-6-2-1-3-7-8(6)12-9(14-7)11-4-5-13/h1-3,13H,4-5,10H2,(H,11,12).
What are the key properties of 2-[(4-amino-1,3-benzoxazol-2-yl)amino]ethanol?
2-[(4-amino-1,3-benzoxazol-2-yl)amino]ethanol has a molecular weight of 193.21 g/mol, XLogP of 0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,3-benzoxazol-2-yl)amino]ethanol is sourced from PubChem (CID 79890543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).