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

C14H16N2O3 — CID 91941431

IUPAC5-but-2-en-2-yl-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole
SMILESCC=C(C)c1nc(-c2ccc(OC)cc2OC)no1
InChIInChI=1S/C14H16N2O3/c1-5-9(2)14-15-13(16-19-14)11-7-6-10(17-3)8-12(11)18-4/h5-8H,1-4H3
InChIKeyNOPPRYUODWHJAA-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.18
Rot. Bonds4

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

5-but-2-en-2-yl-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole (PubChem CID 91941431) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-but-2-en-2-yl-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-but-2-en-2-yl-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole
PubChem CID91941431
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name5-but-2-en-2-yl-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole
SMILESCC=C(C)c1nc(-c2ccc(OC)cc2OC)no1
InChIInChI=1S/C14H16N2O3/c1-5-9(2)14-15-13(16-19-14)11-7-6-10(17-3)8-12(11)18-4/h5-8H,1-4H3
InChIKeyNOPPRYUODWHJAA-UHFFFAOYSA-N
XLogP3.18
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(Z)-1-chloro-2-thiophen-3-ylethenyl]-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 9041444
N-[4-[(Z)-2-chloro-2-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]acetamide
CID 9041369
5-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 9041435
3-(2,4-dimethoxyphenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527886
3-(2,4-dimethoxyphenyl)-5-[(1S)-1-methoxyethyl]-1,2,4-oxadiazole
CID 95333703
4-[(Z)-2-chloro-2-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]-2-nitrophenolate
CID 9041471
5-[(Z)-1-chloro-2-(6-methoxynaphthalen-2-yl)ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9037022
N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylpropan-1-amine
CID 78822364
N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 51202784
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl cyclohexanecarboxylate
CID 9416190
3-(2,4-dimethoxyphenyl)-5-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole
CID 51202891
4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,6-dimethylpyrimidin-2-amine
CID 167850970

Frequently Asked Questions

What is the IUPAC name of 5-but-2-en-2-yl-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-but-2-en-2-yl-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole (CID 91941431) is 5-but-2-en-2-yl-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-but-2-en-2-yl-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-but-2-en-2-yl-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole is CC=C(C)c1nc(-c2ccc(OC)cc2OC)no1.
What is the InChIKey of 5-but-2-en-2-yl-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is NOPPRYUODWHJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-5-9(2)14-15-13(16-19-14)11-7-6-10(17-3)8-12(11)18-4/h5-8H,1-4H3.
What are the key properties of 5-but-2-en-2-yl-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole?
5-but-2-en-2-yl-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 260.29 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-2-en-2-yl-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 91941431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).