2-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole

C13H12N4OS — CID 19554491

IUPAC2-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCCn1cc(/C=C/c2nnc(-c3cccs3)o2)cn1
InChIInChI=1S/C13H12N4OS/c1-2-17-9-10(8-14-17)5-6-12-15-16-13(18-12)11-4-3-7-19-11/h3-9H,2H2,1H3/b6-5+
InChIKeyXFSUYFVIHKFEBW-AATRIKPKSA-N
MW272.33 g/mol
LogP3.18
Rot. Bonds4

About 2-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole

2-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 19554491) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID19554491
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name2-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCCn1cc(/C=C/c2nnc(-c3cccs3)o2)cn1
InChIInChI=1S/C13H12N4OS/c1-2-17-9-10(8-14-17)5-6-12-15-16-13(18-12)11-4-3-7-19-11/h3-9H,2H2,1H3/b6-5+
InChIKeyXFSUYFVIHKFEBW-AATRIKPKSA-N
XLogP3.18
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(E)-2-naphthalen-1-ylethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 6011073
2-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 110217531
2-[(Z)-2-[4-methoxy-3-(phenoxymethyl)phenyl]ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 19542453
ethane;2-methyl-5-thiophen-2-yl-1,3,4-oxadiazole
CID 143800921
2-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 19542109
5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
CID 16767328
5-thiophen-2-yl-1,3,4-oxadiazol-2-olate
CID 51401385
(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methanol
CID 43558918
2-(1-methylindol-3-yl)-5-thiophen-2-yl-1,3,4-oxadiazole
CID 857000
2-(methoxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
CID 53017470
N-ethyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 60661957
2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-[(E)-2-thiophen-2-ylethenyl]-1,3,4-oxadiazole
CID 167872913

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole (CID 19554491) is 2-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole is CCn1cc(/C=C/c2nnc(-c3cccs3)o2)cn1.
What is the InChIKey of 2-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is XFSUYFVIHKFEBW-AATRIKPKSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-2-17-9-10(8-14-17)5-6-12-15-16-13(18-12)11-4-3-7-19-11/h3-9H,2H2,1H3/b6-5+.
What are the key properties of 2-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
2-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 272.33 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 19554491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).