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

C9H6Cl2N2O2 — CID 2726656

IUPAC[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol
SMILESOCc1noc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C9H6Cl2N2O2/c10-6-2-1-5(3-7(6)11)9-12-8(4-14)13-15-9/h1-3,14H,4H2
InChIKeySHVXQHKUAJGNBL-UHFFFAOYSA-N
MW245.06 g/mol
LogP2.54
Rot. Bonds2

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

[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol (PubChem CID 2726656) has the molecular formula C9H6Cl2N2O2 and a molecular weight of 245.06 g/mol. Its IUPAC name is [5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol
PubChem CID2726656
Molecular FormulaC9H6Cl2N2O2
Molecular Weight245.06 g/mol
Exact Mass243.98
IUPAC Name[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol
SMILESOCc1noc(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C9H6Cl2N2O2/c10-6-2-1-5(3-7(6)11)9-12-8(4-14)13-15-9/h1-3,14H,4H2
InChIKeySHVXQHKUAJGNBL-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

[5-(2,6-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660381
3-(bromomethyl)-5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazole
CID 130536141
5-(3,4-dichlorophenyl)-3-phenyl-1,2,4-oxadiazole
CID 704271
(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)methanol
CID 102922045
N-[[5-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 104879940
2-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-N-(4-methoxyphenyl)acetamide
CID 27211427
5-(4-chloro-3-fluorophenyl)-3-(methoxymethyl)-1,2,4-oxadiazole
CID 84593426
1-[5-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 104879923
[5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]methanol
CID 23205017
2-[5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 82879699
N-[[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 107992758
5-(4-chloro-3-nitrophenyl)-3-ethyl-1,2,4-oxadiazole
CID 23010472

Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol?
The IUPAC name of [5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol (CID 2726656) is [5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol.
What is the SMILES notation for [5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol?
The canonical SMILES for [5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol is OCc1noc(-c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of [5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol?
The InChIKey is SHVXQHKUAJGNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2O2/c10-6-2-1-5(3-7(6)11)9-12-8(4-14)13-15-9/h1-3,14H,4H2.
What are the key properties of [5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol?
[5-(3,4-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-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol is sourced from PubChem (CID 2726656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).