3-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]phenol

C14H9ClN2O2S — CID 9037543

IUPAC3-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]phenol
SMILESOc1cccc(/C=C(\Cl)c2nc(-c3cccs3)no2)c1
InChIInChI=1S/C14H9ClN2O2S/c15-11(8-9-3-1-4-10(18)7-9)14-16-13(17-19-14)12-5-2-6-20-12/h1-8,18H/b11-8-
InChIKeyKHBFMWLVWBVUDF-FLIBITNWSA-N
MW304.76 g/mol
LogP4.24
Rot. Bonds3

About 3-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]phenol

3-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]phenol (PubChem CID 9037543) has the molecular formula C14H9ClN2O2S and a molecular weight of 304.76 g/mol. Its IUPAC name is 3-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]phenol.

Molecular Properties

Compound Name3-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]phenol
PubChem CID9037543
Molecular FormulaC14H9ClN2O2S
Molecular Weight304.76 g/mol
Exact Mass304.01
IUPAC Name3-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]phenol
SMILESOc1cccc(/C=C(\Cl)c2nc(-c3cccs3)no2)c1
InChIInChI=1S/C14H9ClN2O2S/c15-11(8-9-3-1-4-10(18)7-9)14-16-13(17-19-14)12-5-2-6-20-12/h1-8,18H/b11-8-
InChIKeyKHBFMWLVWBVUDF-FLIBITNWSA-N
XLogP4.24
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(Z)-1-chloro-2-thiophen-2-ylethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 9037450
4-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]benzoic acid
CID 9037516
2-[4-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]-2-methoxyphenoxy]acetonitrile
CID 9037579
5-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 9037538
3-[(Z)-2-chloro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenol
CID 9036620
5-[(Z)-1-chloro-2-(4-chloro-3-nitrophenyl)ethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 9037548
2-[4-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]phenoxy]acetic acid
CID 45281715
5-[(Z)-1-chloro-2-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)ethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 9037631
(E)-3-(4-hydroxyphenyl)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)prop-2-enenitrile
CID 135577056
(E)-3-(3,4-dimethoxyphenyl)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)prop-2-enenitrile
CID 9212599
3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxylic acid
CID 28806054
(E)-3-(4-hydroxy-3,5-dimethylphenyl)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)prop-2-enenitrile
CID 135577077

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]phenol?
The IUPAC name of 3-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]phenol (CID 9037543) is 3-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]phenol.
What is the SMILES notation for 3-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]phenol?
The canonical SMILES for 3-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]phenol is Oc1cccc(/C=C(\Cl)c2nc(-c3cccs3)no2)c1.
What is the InChIKey of 3-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]phenol?
The InChIKey is KHBFMWLVWBVUDF-FLIBITNWSA-N. The full InChI is InChI=1S/C14H9ClN2O2S/c15-11(8-9-3-1-4-10(18)7-9)14-16-13(17-19-14)12-5-2-6-20-12/h1-8,18H/b11-8-.
What are the key properties of 3-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]phenol?
3-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]phenol has a molecular weight of 304.76 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]phenol is sourced from PubChem (CID 9037543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).