3-(4-methoxyphenyl)-5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazole

C15H12N2O2S — CID 167991639

IUPAC3-(4-methoxyphenyl)-5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(/C=C/c3cccs3)n2)cc1
InChIInChI=1S/C15H12N2O2S/c1-18-12-6-4-11(5-7-12)15-16-14(19-17-15)9-8-13-3-2-10-20-13/h2-10H,1H3/b9-8+
InChIKeyCEAUVQJWLHWTON-CMDGGOBGSA-N
MW284.34 g/mol
LogP3.98
Rot. Bonds4

About 3-(4-methoxyphenyl)-5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazole

3-(4-methoxyphenyl)-5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazole (PubChem CID 167991639) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazole
PubChem CID167991639
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name3-(4-methoxyphenyl)-5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(/C=C/c3cccs3)n2)cc1
InChIInChI=1S/C15H12N2O2S/c1-18-12-6-4-11(5-7-12)15-16-14(19-17-15)9-8-13-3-2-10-20-13/h2-10H,1H3/b9-8+
InChIKeyCEAUVQJWLHWTON-CMDGGOBGSA-N
XLogP3.98
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide
CID 46380456
3-(4-pyrrolidin-1-ylsulfonylphenyl)-5-(2-thiophen-2-ylethenyl)-1,2,4-oxadiazole
CID 71843486
3-[3-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-(2-thiophen-2-ylethenyl)-1,2,4-oxadiazole
CID 71843309
5-[(E)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]pyridin-3-ol
CID 75453240
3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-amine
CID 46342115
5-(4-methoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718725
4-(2-methylpropyl)-7-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]-1H-quinoxaline-2,3-dione
CID 53065658
1-propyl-3-[3-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 53209900
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 62787593
(Z)-1-(6-methoxynaphthalen-2-yl)-3-thiophen-2-ylprop-2-en-1-one
CID 92909536
3-(3,4-dimethoxyphenyl)-5-(2-phenylethenyl)-1,2,4-oxadiazole
CID 2994581
(4-methoxyphenyl) (E)-3-thiophen-2-ylprop-2-enoate
CID 137442894

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methoxyphenyl)-5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazole (CID 167991639) is 3-(4-methoxyphenyl)-5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methoxyphenyl)-5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazole is COc1ccc(-c2noc(/C=C/c3cccs3)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazole?
The InChIKey is CEAUVQJWLHWTON-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-18-12-6-4-11(5-7-12)15-16-14(19-17-15)9-8-13-3-2-10-20-13/h2-10H,1H3/b9-8+.
What are the key properties of 3-(4-methoxyphenyl)-5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazole?
3-(4-methoxyphenyl)-5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazole has a molecular weight of 284.34 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 167991639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).