1-amino-3-(1,3-benzoxazol-6-yl)propan-2-ol

C10H12N2O2 — CID 116859184

IUPAC1-amino-3-(1,3-benzoxazol-6-yl)propan-2-ol
SMILESNCC(O)Cc1ccc2ncoc2c1
InChIInChI=1S/C10H12N2O2/c11-5-8(13)3-7-1-2-9-10(4-7)14-6-12-9/h1-2,4,6,8,13H,3,5,11H2
InChIKeyZBTUXIVGXSQRGZ-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.69
Rot. Bonds3

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

1-amino-3-(1,3-benzoxazol-6-yl)propan-2-ol (PubChem CID 116859184) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-amino-3-(1,3-benzoxazol-6-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(1,3-benzoxazol-6-yl)propan-2-ol
PubChem CID116859184
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name1-amino-3-(1,3-benzoxazol-6-yl)propan-2-ol
SMILESNCC(O)Cc1ccc2ncoc2c1
InChIInChI=1S/C10H12N2O2/c11-5-8(13)3-7-1-2-9-10(4-7)14-6-12-9/h1-2,4,6,8,13H,3,5,11H2
InChIKeyZBTUXIVGXSQRGZ-UHFFFAOYSA-N
XLogP0.69
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-3-(1,3-benzoxazol-6-ylmethylamino)propan-2-ol
CID 115121411
1,3-benzoxazol-6-ylmethanamine
CID 55219292
6-(2,2-dimethylpropyl)-1,3-benzoxazole
CID 59139810
4-(1,3-benzoxazol-6-ylmethylamino)-3-hydroxybutanoic acid
CID 115123039
3-[1,3-benzoxazol-6-ylmethyl(methyl)amino]propane-1,2-diol
CID 115122233
(1,3-benzoxazol-6-ylmethylamino)methanol
CID 115229031
2-(1,3-benzoxazol-6-ylmethyl)-N-methylbutan-1-amine
CID 116931858
4-(1,3-benzoxazol-6-ylmethyl)benzoic acid
CID 116927202
N-(3-amino-2-methylpropyl)-2-(1,3-benzoxazol-6-yl)-N-methylacetamide
CID 115272460
N'-[2-(1,3-benzoxazol-6-yl)ethyl]-2-ethylpropane-1,3-diamine
CID 115251673
1-N-(1,3-benzoxazol-6-ylmethyl)butane-1,3-diamine
CID 115199329
3-amino-N-(1,3-benzoxazol-6-ylmethyl)-N,2,2-trimethylpropanamide
CID 115154699

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1,3-benzoxazol-6-yl)propan-2-ol?
The IUPAC name of 1-amino-3-(1,3-benzoxazol-6-yl)propan-2-ol (CID 116859184) is 1-amino-3-(1,3-benzoxazol-6-yl)propan-2-ol.
What is the SMILES notation for 1-amino-3-(1,3-benzoxazol-6-yl)propan-2-ol?
The canonical SMILES for 1-amino-3-(1,3-benzoxazol-6-yl)propan-2-ol is NCC(O)Cc1ccc2ncoc2c1.
What is the InChIKey of 1-amino-3-(1,3-benzoxazol-6-yl)propan-2-ol?
The InChIKey is ZBTUXIVGXSQRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c11-5-8(13)3-7-1-2-9-10(4-7)14-6-12-9/h1-2,4,6,8,13H,3,5,11H2.
What are the key properties of 1-amino-3-(1,3-benzoxazol-6-yl)propan-2-ol?
1-amino-3-(1,3-benzoxazol-6-yl)propan-2-ol has a molecular weight of 192.22 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1,3-benzoxazol-6-yl)propan-2-ol is sourced from PubChem (CID 116859184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).