2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]ethanol

C10H12N2O3 — CID 146454064

IUPAC2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]ethanol
SMILESCOc1ccc2nc(NCCO)oc2c1
InChIInChI=1S/C10H12N2O3/c1-14-7-2-3-8-9(6-7)15-10(12-8)11-4-5-13/h2-3,6,13H,4-5H2,1H3,(H,11,12)
InChIKeyOIFSNERDZQTRFE-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.24
Rot. Bonds4

About 2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]ethanol

2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]ethanol (PubChem CID 146454064) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]ethanol
PubChem CID146454064
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]ethanol
SMILESCOc1ccc2nc(NCCO)oc2c1
InChIInChI=1S/C10H12N2O3/c1-14-7-2-3-8-9(6-7)15-10(12-8)11-4-5-13/h2-3,6,13H,4-5H2,1H3,(H,11,12)
InChIKeyOIFSNERDZQTRFE-UHFFFAOYSA-N
XLogP1.24
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]ethanol?
The IUPAC name of 2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]ethanol (CID 146454064) is 2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]ethanol.
What is the SMILES notation for 2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]ethanol?
The canonical SMILES for 2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]ethanol is COc1ccc2nc(NCCO)oc2c1.
What is the InChIKey of 2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]ethanol?
The InChIKey is OIFSNERDZQTRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-14-7-2-3-8-9(6-7)15-10(12-8)11-4-5-13/h2-3,6,13H,4-5H2,1H3,(H,11,12).
What are the key properties of 2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]ethanol?
2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]ethanol has a molecular weight of 208.22 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]ethanol is sourced from PubChem (CID 146454064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).