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

C10H10ClN3O2 — CID 104633256

IUPAC2-amino-2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESNC(CO)c1noc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C10H10ClN3O2/c11-7-3-1-6(2-4-7)10-13-9(14-16-10)8(12)5-15/h1-4,8,15H,5,12H2
InChIKeyDDHXROMVFIEQDF-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.38
Rot. Bonds3

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

2-amino-2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 104633256) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is 2-amino-2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID104633256
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Name2-amino-2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESNC(CO)c1noc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C10H10ClN3O2/c11-7-3-1-6(2-4-7)10-13-9(14-16-10)8(12)5-15/h1-4,8,15H,5,12H2
InChIKeyDDHXROMVFIEQDF-UHFFFAOYSA-N
XLogP1.38
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633217
1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 61325011
2-amino-2-[5-(5-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 113435331
2-amino-2-[5-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 113435353
2-amino-2-[5-(3-bromo-5-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 114018606
2-amino-2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanol
CID 104633216
2-amino-2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethanol
CID 104633410
1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 113443207
2-amino-2-[5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 113435341
2-amino-2-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633198
2-amino-2-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 106855875
(2R)-2-amino-N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide
CID 119344422

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 2-amino-2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanol (CID 104633256) is 2-amino-2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 2-amino-2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 2-amino-2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanol is NC(CO)c1noc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-amino-2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is DDHXROMVFIEQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c11-7-3-1-6(2-4-7)10-13-9(14-16-10)8(12)5-15/h1-4,8,15H,5,12H2.
What are the key properties of 2-amino-2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanol?
2-amino-2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 239.66 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 104633256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).