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

C13H11BrN4O2 — CID 107837176

IUPAC(1S)-2-amino-1-[3-(3-bromoquinolin-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESNC[C@H](O)c1nc(-c2nc3ccccc3cc2Br)no1
InChIInChI=1S/C13H11BrN4O2/c14-8-5-7-3-1-2-4-9(7)16-11(8)12-17-13(20-18-12)10(19)6-15/h1-5,10,19H,6,15H2/t10-/m0/s1
InChIKeyDYRQPHCSURRKGU-JTQLQIEISA-N
MW335.16 g/mol
LogP2.04
Rot. Bonds3

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

(1S)-2-amino-1-[3-(3-bromoquinolin-2-yl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 107837176) has the molecular formula C13H11BrN4O2 and a molecular weight of 335.16 g/mol. Its IUPAC name is (1S)-2-amino-1-[3-(3-bromoquinolin-2-yl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name(1S)-2-amino-1-[3-(3-bromoquinolin-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID107837176
Molecular FormulaC13H11BrN4O2
Molecular Weight335.16 g/mol
Exact Mass334.01
IUPAC Name(1S)-2-amino-1-[3-(3-bromoquinolin-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESNC[C@H](O)c1nc(-c2nc3ccccc3cc2Br)no1
InChIInChI=1S/C13H11BrN4O2/c14-8-5-7-3-1-2-4-9(7)16-11(8)12-17-13(20-18-12)10(19)6-15/h1-5,10,19H,6,15H2/t10-/m0/s1
InChIKeyDYRQPHCSURRKGU-JTQLQIEISA-N
XLogP2.04
TPSA98.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

(1S)-2-amino-1-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 107837266
(1S)-2-amino-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 107836639
2-amino-1-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66167316
3-amino-1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 107836904
(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-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 107916279
3-[3-(3-bromoquinolin-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile
CID 106526104
(1S)-2-amino-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 107836939
(1S)-2-amino-1-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 107837133
3-(3-bromoquinolin-2-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900764
2-[3-(3-bromoquinolin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106526103
2-amino-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66167737

Frequently Asked Questions

What is the IUPAC name of (1S)-2-amino-1-[3-(3-bromoquinolin-2-yl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of (1S)-2-amino-1-[3-(3-bromoquinolin-2-yl)-1,2,4-oxadiazol-5-yl]ethanol (CID 107837176) is (1S)-2-amino-1-[3-(3-bromoquinolin-2-yl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for (1S)-2-amino-1-[3-(3-bromoquinolin-2-yl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for (1S)-2-amino-1-[3-(3-bromoquinolin-2-yl)-1,2,4-oxadiazol-5-yl]ethanol is NC[C@H](O)c1nc(-c2nc3ccccc3cc2Br)no1.
What is the InChIKey of (1S)-2-amino-1-[3-(3-bromoquinolin-2-yl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is DYRQPHCSURRKGU-JTQLQIEISA-N. The full InChI is InChI=1S/C13H11BrN4O2/c14-8-5-7-3-1-2-4-9(7)16-11(8)12-17-13(20-18-12)10(19)6-15/h1-5,10,19H,6,15H2/t10-/m0/s1.
What are the key properties of (1S)-2-amino-1-[3-(3-bromoquinolin-2-yl)-1,2,4-oxadiazol-5-yl]ethanol?
(1S)-2-amino-1-[3-(3-bromoquinolin-2-yl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 335.16 g/mol, XLogP of 2.04, 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-(3-bromoquinolin-2-yl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 107837176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).