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

C13H13ClN2O2 — CID 72877745

IUPAC5-(2-chloro-6-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESCc1cccc(Cl)c1-c1nc(C2CCOC2)no1
InChIInChI=1S/C13H13ClN2O2/c1-8-3-2-4-10(14)11(8)13-15-12(16-18-13)9-5-6-17-7-9/h2-4,9H,5-7H2,1H3
InChIKeyPMVVKNGFZVGNJZ-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.20
Rot. Bonds2

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

5-(2-chloro-6-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole (PubChem CID 72877745) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 5-(2-chloro-6-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-chloro-6-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
PubChem CID72877745
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name5-(2-chloro-6-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESCc1cccc(Cl)c1-c1nc(C2CCOC2)no1
InChIInChI=1S/C13H13ClN2O2/c1-8-3-2-4-10(14)11(8)13-15-12(16-18-13)9-5-6-17-7-9/h2-4,9H,5-7H2,1H3
InChIKeyPMVVKNGFZVGNJZ-UHFFFAOYSA-N
XLogP3.20
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,6-dichlorophenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72866103
3-[(3S)-oxolan-3-yl]-5-(2,4,6-trimethylphenyl)-1,2,4-oxadiazole
CID 97436766
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72861127
5-(5-fluoro-2-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72916243
3-(oxolan-3-yl)-5-(2,4,5-trimethylphenyl)-1,2,4-oxadiazole
CID 72939607
5-(4-chloro-1-methylpyrazol-3-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97434198
5-(4-chloro-1-methylpyrazol-5-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72854814
5-(2,6-difluoro-4-methoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72918816
5-(3-chloro-1H-indol-2-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 136767992
5-(5-methylpyrazin-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72916447
5-(4-methoxy-3,5-dimethylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97436599
5-(3-methyl-1H-indol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 136903584

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-chloro-6-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole (CID 72877745) is 5-(2-chloro-6-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-chloro-6-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-chloro-6-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole is Cc1cccc(Cl)c1-c1nc(C2CCOC2)no1.
What is the InChIKey of 5-(2-chloro-6-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The InChIKey is PMVVKNGFZVGNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-8-3-2-4-10(14)11(8)13-15-12(16-18-13)9-5-6-17-7-9/h2-4,9H,5-7H2,1H3.
What are the key properties of 5-(2-chloro-6-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
5-(2-chloro-6-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole has a molecular weight of 264.71 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 72877745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).