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

C8H8BrN3O2S — CID 107836939

IUPAC(1S)-2-amino-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESNC[C@H](O)c1nc(-c2cc(Br)cs2)no1
InChIInChI=1S/C8H8BrN3O2S/c9-4-1-6(15-3-4)7-11-8(14-12-7)5(13)2-10/h1,3,5,13H,2,10H2/t5-/m0/s1
InChIKeyBRWYCKKMVNSVCD-YFKPBYRVSA-N
MW290.14 g/mol
LogP1.55
Rot. Bonds3

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

(1S)-2-amino-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 107836939) has the molecular formula C8H8BrN3O2S and a molecular weight of 290.14 g/mol. Its IUPAC name is (1S)-2-amino-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name(1S)-2-amino-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID107836939
Molecular FormulaC8H8BrN3O2S
Molecular Weight290.14 g/mol
Exact Mass288.95
IUPAC Name(1S)-2-amino-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESNC[C@H](O)c1nc(-c2cc(Br)cs2)no1
InChIInChI=1S/C8H8BrN3O2S/c9-4-1-6(15-3-4)7-11-8(14-12-7)5(13)2-10/h1,3,5,13H,2,10H2/t5-/m0/s1
InChIKeyBRWYCKKMVNSVCD-YFKPBYRVSA-N
XLogP1.55
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.14
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1S)-2-amino-1-[3-(4-bromothiophen-2-yl)-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

(2S)-2-amino-2-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915736
(1S)-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 103832537
(1S)-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 103832546
2-amino-1-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66167316
(1S)-2-amino-1-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 107837133
1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpropan-1-amine
CID 86806592
2-[[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81073425
3-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 79803721
(1S)-2-amino-1-[3-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 107916279
(1S)-2-amino-1-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 107837210
(1S)-2-amino-1-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 107837266
(1S)-2-amino-1-[3-(3-bromoquinolin-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 107837176

Frequently Asked Questions

What is the IUPAC name of (1S)-2-amino-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of (1S)-2-amino-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethanol (CID 107836939) is (1S)-2-amino-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for (1S)-2-amino-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for (1S)-2-amino-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethanol is NC[C@H](O)c1nc(-c2cc(Br)cs2)no1.
What is the InChIKey of (1S)-2-amino-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is BRWYCKKMVNSVCD-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H8BrN3O2S/c9-4-1-6(15-3-4)7-11-8(14-12-7)5(13)2-10/h1,3,5,13H,2,10H2/t5-/m0/s1.
What are the key properties of (1S)-2-amino-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethanol?
(1S)-2-amino-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 290.14 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-amino-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 107836939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).