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

C16H16N2O2 — CID 60979792

IUPAC2-[1,3-benzoxazol-2-yl(benzyl)amino]ethanol
SMILESOCCN(Cc1ccccc1)c1nc2ccccc2o1
InChIInChI=1S/C16H16N2O2/c19-11-10-18(12-13-6-2-1-3-7-13)16-17-14-8-4-5-9-15(14)20-16/h1-9,19H,10-12H2
InChIKeyHWAJGNAFFKWSDP-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.83
Rot. Bonds5

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

2-[1,3-benzoxazol-2-yl(benzyl)amino]ethanol (PubChem CID 60979792) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[1,3-benzoxazol-2-yl(benzyl)amino]ethanol.

Molecular Properties

Compound Name2-[1,3-benzoxazol-2-yl(benzyl)amino]ethanol
PubChem CID60979792
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-[1,3-benzoxazol-2-yl(benzyl)amino]ethanol
SMILESOCCN(Cc1ccccc1)c1nc2ccccc2o1
InChIInChI=1S/C16H16N2O2/c19-11-10-18(12-13-6-2-1-3-7-13)16-17-14-8-4-5-9-15(14)20-16/h1-9,19H,10-12H2
InChIKeyHWAJGNAFFKWSDP-UHFFFAOYSA-N
XLogP2.83
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1,3-benzoxazol-2-yl(benzyl)amino]ethanol?
The IUPAC name of 2-[1,3-benzoxazol-2-yl(benzyl)amino]ethanol (CID 60979792) is 2-[1,3-benzoxazol-2-yl(benzyl)amino]ethanol.
What is the SMILES notation for 2-[1,3-benzoxazol-2-yl(benzyl)amino]ethanol?
The canonical SMILES for 2-[1,3-benzoxazol-2-yl(benzyl)amino]ethanol is OCCN(Cc1ccccc1)c1nc2ccccc2o1.
What is the InChIKey of 2-[1,3-benzoxazol-2-yl(benzyl)amino]ethanol?
The InChIKey is HWAJGNAFFKWSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-11-10-18(12-13-6-2-1-3-7-13)16-17-14-8-4-5-9-15(14)20-16/h1-9,19H,10-12H2.
What are the key properties of 2-[1,3-benzoxazol-2-yl(benzyl)amino]ethanol?
2-[1,3-benzoxazol-2-yl(benzyl)amino]ethanol has a molecular weight of 268.32 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-benzoxazol-2-yl(benzyl)amino]ethanol is sourced from PubChem (CID 60979792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).