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

C10H9Cl2N3O2 — CID 81491989

IUPAC2-amino-2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESNC(CO)c1nc(-c2ccc(Cl)c(Cl)c2)no1
InChIInChI=1S/C10H9Cl2N3O2/c11-6-2-1-5(3-7(6)12)9-14-10(17-15-9)8(13)4-16/h1-3,8,16H,4,13H2
InChIKeyRORAIWDYNQAVLF-UHFFFAOYSA-N
MW274.11 g/mol
LogP2.04
Rot. Bonds3

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

2-amino-2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 81491989) has the molecular formula C10H9Cl2N3O2 and a molecular weight of 274.11 g/mol. Its IUPAC name is 2-amino-2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID81491989
Molecular FormulaC10H9Cl2N3O2
Molecular Weight274.11 g/mol
Exact Mass273.01
IUPAC Name2-amino-2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESNC(CO)c1nc(-c2ccc(Cl)c(Cl)c2)no1
InChIInChI=1S/C10H9Cl2N3O2/c11-6-2-1-5(3-7(6)12)9-14-10(17-15-9)8(13)4-16/h1-3,8,16H,4,13H2
InChIKeyRORAIWDYNQAVLF-UHFFFAOYSA-N
XLogP2.04
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 81492063
1-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 81491985
(2S)-2-amino-2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 93251327
2-amino-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 43514739
2-amino-2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 63097003
(2R)-2-amino-2-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915667
(1R)-1-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 104904277
1-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 63093086
(2S)-2-amino-2-[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104916032
1-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 115565639
(2R)-2-amino-2-[4-(3,4-dichlorophenyl)phenyl]ethanol
CID 66515616
1-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 81492497

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 2-amino-2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol (CID 81491989) is 2-amino-2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 2-amino-2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 2-amino-2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol is NC(CO)c1nc(-c2ccc(Cl)c(Cl)c2)no1.
What is the InChIKey of 2-amino-2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is RORAIWDYNQAVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3O2/c11-6-2-1-5(3-7(6)12)9-14-10(17-15-9)8(13)4-16/h1-3,8,16H,4,13H2.
What are the key properties of 2-amino-2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol?
2-amino-2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 274.11 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 81491989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).