5-(2,6-dichlorophenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole

C12H10Cl2N2O2 — CID 72866103

IUPAC5-(2,6-dichlorophenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESClc1cccc(Cl)c1-c1nc(C2CCOC2)no1
InChIInChI=1S/C12H10Cl2N2O2/c13-8-2-1-3-9(14)10(8)12-15-11(16-18-12)7-4-5-17-6-7/h1-3,7H,4-6H2
InChIKeyAOYJLGUNNCMYAG-UHFFFAOYSA-N
MW285.13 g/mol
LogP3.55
Rot. Bonds2

About 5-(2,6-dichlorophenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole

5-(2,6-dichlorophenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole (PubChem CID 72866103) has the molecular formula C12H10Cl2N2O2 and a molecular weight of 285.13 g/mol. Its IUPAC name is 5-(2,6-dichlorophenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,6-dichlorophenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
PubChem CID72866103
Molecular FormulaC12H10Cl2N2O2
Molecular Weight285.13 g/mol
Exact Mass284.01
IUPAC Name5-(2,6-dichlorophenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESClc1cccc(Cl)c1-c1nc(C2CCOC2)no1
InChIInChI=1S/C12H10Cl2N2O2/c13-8-2-1-3-9(14)10(8)12-15-11(16-18-12)7-4-5-17-6-7/h1-3,7H,4-6H2
InChIKeyAOYJLGUNNCMYAG-UHFFFAOYSA-N
XLogP3.55
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-chloro-6-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72877745
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72861127
3-[(3S)-oxolan-3-yl]-5-(2,4,6-trimethylphenyl)-1,2,4-oxadiazole
CID 97436766
5-(4-chloro-1-methylpyrazol-3-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97434198
5-(3-chloro-1H-indol-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 136767992
5-(2,6-dichlorophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63026121
5-(4-chloro-1-methylpyrazol-5-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72854814
5-(furan-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97018511
5-(2,6-difluoro-4-methoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72918816
5-[(2-chlorophenoxy)methyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97443640
3-[(3R)-oxolan-3-yl]-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
CID 97455442
5-(4-ethylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97443285

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dichlorophenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,6-dichlorophenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole (CID 72866103) is 5-(2,6-dichlorophenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,6-dichlorophenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,6-dichlorophenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole is Clc1cccc(Cl)c1-c1nc(C2CCOC2)no1.
What is the InChIKey of 5-(2,6-dichlorophenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The InChIKey is AOYJLGUNNCMYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2/c13-8-2-1-3-9(14)10(8)12-15-11(16-18-12)7-4-5-17-6-7/h1-3,7H,4-6H2.
What are the key properties of 5-(2,6-dichlorophenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
5-(2,6-dichlorophenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole has a molecular weight of 285.13 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dichlorophenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 72866103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).