[5-(2,6-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol

C9H6Cl2N2O2 — CID 102660381

IUPAC[5-(2,6-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol
SMILESOCc1noc(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C9H6Cl2N2O2/c10-5-2-1-3-6(11)8(5)9-12-7(4-14)13-15-9/h1-3,14H,4H2
InChIKeyISGCJQZKGSEWFJ-UHFFFAOYSA-N
MW245.06 g/mol
LogP2.54
Rot. Bonds2

About [5-(2,6-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol

[5-(2,6-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol (PubChem CID 102660381) has the molecular formula C9H6Cl2N2O2 and a molecular weight of 245.06 g/mol. Its IUPAC name is [5-(2,6-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(2,6-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol
PubChem CID102660381
Molecular FormulaC9H6Cl2N2O2
Molecular Weight245.06 g/mol
Exact Mass243.98
IUPAC Name[5-(2,6-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol
SMILESOCc1noc(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C9H6Cl2N2O2/c10-5-2-1-3-6(11)8(5)9-12-7(4-14)13-15-9/h1-3,14H,4H2
InChIKeyISGCJQZKGSEWFJ-UHFFFAOYSA-N
XLogP2.54
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.06
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole
CID 112572079
[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61324775
[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 2726656
N-[[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62341977
2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813444
2-(3-butyl-1,2,4-oxadiazol-5-yl)-3-chloroaniline
CID 79405198
5-(2,6-dichlorophenyl)-3-methylsulfanyl-1,2,4-oxadiazole
CID 4097294
[5-(2-bromo-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660504
[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methanol
CID 58833256
3-(1-chloropropyl)-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole
CID 103095565
3-[(2-chlorophenoxy)methyl]-5-(2,6-difluorophenyl)-1,2,4-oxadiazole
CID 42692478
N-[[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylaniline
CID 166314299

Frequently Asked Questions

What is the IUPAC name of [5-(2,6-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol?
The IUPAC name of [5-(2,6-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol (CID 102660381) is [5-(2,6-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol.
What is the SMILES notation for [5-(2,6-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol?
The canonical SMILES for [5-(2,6-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol is OCc1noc(-c2c(Cl)cccc2Cl)n1.
What is the InChIKey of [5-(2,6-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol?
The InChIKey is ISGCJQZKGSEWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2O2/c10-5-2-1-3-6(11)8(5)9-12-7(4-14)13-15-9/h1-3,14H,4H2.
What are the key properties of [5-(2,6-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol?
[5-(2,6-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol has a molecular weight of 245.06 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,6-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol is sourced from PubChem (CID 102660381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).