(1S)-1-(5-amino-1,3-benzoxazol-2-yl)ethanol

C9H10N2O2 — CID 66263440

IUPAC(1S)-1-(5-amino-1,3-benzoxazol-2-yl)ethanol
SMILESC[C@H](O)c1nc2cc(N)ccc2o1
InChIInChI=1S/C9H10N2O2/c1-5(12)9-11-7-4-6(10)2-3-8(7)13-9/h2-5,12H,10H2,1H3/t5-/m0/s1
InChIKeyWBKSWHOXHDGZRM-YFKPBYRVSA-N
MW178.19 g/mol
LogP1.46
Rot. Bonds1

About (1S)-1-(5-amino-1,3-benzoxazol-2-yl)ethanol

(1S)-1-(5-amino-1,3-benzoxazol-2-yl)ethanol (PubChem CID 66263440) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is (1S)-1-(5-amino-1,3-benzoxazol-2-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(5-amino-1,3-benzoxazol-2-yl)ethanol
PubChem CID66263440
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name(1S)-1-(5-amino-1,3-benzoxazol-2-yl)ethanol
SMILESC[C@H](O)c1nc2cc(N)ccc2o1
InChIInChI=1S/C9H10N2O2/c1-5(12)9-11-7-4-6(10)2-3-8(7)13-9/h2-5,12H,10H2,1H3/t5-/m0/s1
InChIKeyWBKSWHOXHDGZRM-YFKPBYRVSA-N
XLogP1.46
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-amino-1,3-benzoxazol-2-yl)ethanol?
The IUPAC name of (1S)-1-(5-amino-1,3-benzoxazol-2-yl)ethanol (CID 66263440) is (1S)-1-(5-amino-1,3-benzoxazol-2-yl)ethanol.
What is the SMILES notation for (1S)-1-(5-amino-1,3-benzoxazol-2-yl)ethanol?
The canonical SMILES for (1S)-1-(5-amino-1,3-benzoxazol-2-yl)ethanol is C[C@H](O)c1nc2cc(N)ccc2o1.
What is the InChIKey of (1S)-1-(5-amino-1,3-benzoxazol-2-yl)ethanol?
The InChIKey is WBKSWHOXHDGZRM-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-5(12)9-11-7-4-6(10)2-3-8(7)13-9/h2-5,12H,10H2,1H3/t5-/m0/s1.
What are the key properties of (1S)-1-(5-amino-1,3-benzoxazol-2-yl)ethanol?
(1S)-1-(5-amino-1,3-benzoxazol-2-yl)ethanol has a molecular weight of 178.19 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-amino-1,3-benzoxazol-2-yl)ethanol is sourced from PubChem (CID 66263440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).