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

C14H16N2O4 — CID 72863065

IUPAC5-(2,4-dimethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(C3CCOC3)no2)c(OC)c1
InChIInChI=1S/C14H16N2O4/c1-17-10-3-4-11(12(7-10)18-2)14-15-13(16-20-14)9-5-6-19-8-9/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyYVONGJJXQUTUPT-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.26
Rot. Bonds4

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

5-(2,4-dimethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole (PubChem CID 72863065) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 5-(2,4-dimethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,4-dimethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
PubChem CID72863065
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name5-(2,4-dimethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(C3CCOC3)no2)c(OC)c1
InChIInChI=1S/C14H16N2O4/c1-17-10-3-4-11(12(7-10)18-2)14-15-13(16-20-14)9-5-6-19-8-9/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyYVONGJJXQUTUPT-UHFFFAOYSA-N
XLogP2.26
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97438019
5-(2,3-dimethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72911925
2-methoxy-6-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol
CID 136678825
5-(2,4-dimethoxyphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63026122
4-methoxy-2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 115411862
2-methoxy-5-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol
CID 97160932
5-(2,6-difluoro-4-methoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72918816
3-[(3R)-oxolan-3-yl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 97444955
3-(oxolan-3-yl)-5-(2,4,5-trimethylphenyl)-1,2,4-oxadiazole
CID 72939607
5-(4-fluoro-3-methoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72911954
(4S)-1-cyclohexyl-4-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 99746308
5-(2-methoxyquinolin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97434815

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,4-dimethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole (CID 72863065) is 5-(2,4-dimethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,4-dimethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,4-dimethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole is COc1ccc(-c2nc(C3CCOC3)no2)c(OC)c1.
What is the InChIKey of 5-(2,4-dimethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The InChIKey is YVONGJJXQUTUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-17-10-3-4-11(12(7-10)18-2)14-15-13(16-20-14)9-5-6-19-8-9/h3-4,7,9H,5-6,8H2,1-2H3.
What are the key properties of 5-(2,4-dimethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
5-(2,4-dimethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole has a molecular weight of 276.29 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 72863065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).