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

C10H10BrN3O2 — CID 66167316

IUPAC2-amino-1-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESNCC(O)c1nc(-c2cccc(Br)c2)no1
InChIInChI=1S/C10H10BrN3O2/c11-7-3-1-2-6(4-7)9-13-10(16-14-9)8(15)5-12/h1-4,8,15H,5,12H2
InChIKeyAKFQZSSJLPWYMW-UHFFFAOYSA-N
MW284.11 g/mol
LogP1.49
Rot. Bonds3

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

2-amino-1-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 66167316) has the molecular formula C10H10BrN3O2 and a molecular weight of 284.11 g/mol. Its IUPAC name is 2-amino-1-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID66167316
Molecular FormulaC10H10BrN3O2
Molecular Weight284.11 g/mol
Exact Mass283.00
IUPAC Name2-amino-1-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESNCC(O)c1nc(-c2cccc(Br)c2)no1
InChIInChI=1S/C10H10BrN3O2/c11-7-3-1-2-6(4-7)9-13-10(16-14-9)8(15)5-12/h1-4,8,15H,5,12H2
InChIKeyAKFQZSSJLPWYMW-UHFFFAOYSA-N
XLogP1.49
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-2-amino-1-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 107837133
(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
(1R)-1-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 103832392
(R)-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 93025431
(1S)-1-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 93057410
(1S)-2-amino-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 107836939
3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 81073510
3-amino-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 114006924
1-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 43150823
(1R)-1-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 93025437
(1S)-2-amino-1-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 107837266

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 2-amino-1-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanol (CID 66167316) is 2-amino-1-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 2-amino-1-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 2-amino-1-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanol is NCC(O)c1nc(-c2cccc(Br)c2)no1.
What is the InChIKey of 2-amino-1-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is AKFQZSSJLPWYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2/c11-7-3-1-2-6(4-7)9-13-10(16-14-9)8(15)5-12/h1-4,8,15H,5,12H2.
What are the key properties of 2-amino-1-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanol?
2-amino-1-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 284.11 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 66167316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).