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

C9H10N2O2 — CID 82599704

IUPAC2-amino-2-(1,3-benzoxazol-6-yl)ethanol
SMILESNC(CO)c1ccc2ncoc2c1
InChIInChI=1S/C9H10N2O2/c10-7(4-12)6-1-2-8-9(3-6)13-5-11-8/h1-3,5,7,12H,4,10H2
InChIKeyUGWSXJOYFWGWCE-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.82
Rot. Bonds2

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

2-amino-2-(1,3-benzoxazol-6-yl)ethanol (PubChem CID 82599704) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-amino-2-(1,3-benzoxazol-6-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(1,3-benzoxazol-6-yl)ethanol
PubChem CID82599704
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name2-amino-2-(1,3-benzoxazol-6-yl)ethanol
SMILESNC(CO)c1ccc2ncoc2c1
InChIInChI=1S/C9H10N2O2/c10-7(4-12)6-1-2-8-9(3-6)13-5-11-8/h1-3,5,7,12H,4,10H2
InChIKeyUGWSXJOYFWGWCE-UHFFFAOYSA-N
XLogP0.82
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzoxazol-6-yl)propan-1-ol
CID 117277502
1-(1,3-benzoxazol-6-yl)-N'-methylpropane-1,3-diamine
CID 116932975
1-amino-1-(1,3-benzoxazol-6-yl)propan-2-one
CID 116859715
1-(1,3-benzoxazol-6-yl)-2-sulfanylethanol
CID 116830039
6-propan-2-yl-1,3-benzoxazole
CID 21354846
3-[amino(1,3-benzoxazol-6-yl)methyl]cyclobutan-1-amine
CID 116937387
2-amino-2-[4-(1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethanol
CID 116966777
4-amino-4-(1,3-benzoxazol-6-yl)-3-methylbutanoic acid
CID 116938203
2-[1,3-benzoxazol-6-yl(methylamino)methyl]-3-methylbutan-1-ol
CID 116960168
3-(1,3-benzoxazol-6-yl)-3-(dimethylamino)propan-1-ol
CID 116907694
1-(1,3-benzoxazol-6-yl)-2-morpholin-3-ylethanamine
CID 116941514
2-(1,3-benzoxazol-6-yl)-2-pyrimidin-2-ylethanamine
CID 116833862

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1,3-benzoxazol-6-yl)ethanol?
The IUPAC name of 2-amino-2-(1,3-benzoxazol-6-yl)ethanol (CID 82599704) is 2-amino-2-(1,3-benzoxazol-6-yl)ethanol.
What is the SMILES notation for 2-amino-2-(1,3-benzoxazol-6-yl)ethanol?
The canonical SMILES for 2-amino-2-(1,3-benzoxazol-6-yl)ethanol is NC(CO)c1ccc2ncoc2c1.
What is the InChIKey of 2-amino-2-(1,3-benzoxazol-6-yl)ethanol?
The InChIKey is UGWSXJOYFWGWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c10-7(4-12)6-1-2-8-9(3-6)13-5-11-8/h1-3,5,7,12H,4,10H2.
What are the key properties of 2-amino-2-(1,3-benzoxazol-6-yl)ethanol?
2-amino-2-(1,3-benzoxazol-6-yl)ethanol has a molecular weight of 178.19 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1,3-benzoxazol-6-yl)ethanol is sourced from PubChem (CID 82599704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).