(2S)-2-amino-2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanol

C12H13N5O2 — CID 98566278

IUPAC(2S)-2-amino-2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESN[C@@H](CO)c1nc(Cc2nc3ccccc3[nH]2)no1
InChIInChI=1S/C12H13N5O2/c13-7(6-18)12-16-11(17-19-12)5-10-14-8-3-1-2-4-9(8)15-10/h1-4,7,18H,5-6,13H2,(H,14,15)/t7-/m0/s1
InChIKeyHABOIUFIYWPLKD-ZETCQYMHSA-N
MW259.27 g/mol
LogP0.53
Rot. Bonds4

About (2S)-2-amino-2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanol

(2S)-2-amino-2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 98566278) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is (2S)-2-amino-2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID98566278
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name(2S)-2-amino-2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESN[C@@H](CO)c1nc(Cc2nc3ccccc3[nH]2)no1
InChIInChI=1S/C12H13N5O2/c13-7(6-18)12-16-11(17-19-12)5-10-14-8-3-1-2-4-9(8)15-10/h1-4,7,18H,5-6,13H2,(H,14,15)/t7-/m0/s1
InChIKeyHABOIUFIYWPLKD-ZETCQYMHSA-N
XLogP0.53
TPSA113.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-2-amino-2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-3-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 63638396
(1R)-1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915286
2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 63639809
N-[1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 63640674
2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine
CID 63637550
3-(1H-benzimidazol-2-ylmethyl)-5-ethyl-1,2,4-oxadiazole
CID 16615146
4-[[5-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 43104742
(2S)-2-amino-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915658
2-amino-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 61385059
1-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-one
CID 63641529
5-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 63637029
2-amino-3-(1H-benzimidazol-2-yl)propan-1-ol
CID 134585016

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of (2S)-2-amino-2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanol (CID 98566278) is (2S)-2-amino-2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for (2S)-2-amino-2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for (2S)-2-amino-2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanol is N[C@@H](CO)c1nc(Cc2nc3ccccc3[nH]2)no1.
What is the InChIKey of (2S)-2-amino-2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is HABOIUFIYWPLKD-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H13N5O2/c13-7(6-18)12-16-11(17-19-12)5-10-14-8-3-1-2-4-9(8)15-10/h1-4,7,18H,5-6,13H2,(H,14,15)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanol?
(2S)-2-amino-2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 259.27 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 98566278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).