5-[(Z)-1-chloro-2-(5-methylthiophen-2-yl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole

C15H10ClFN2OS — CID 9036650

IUPAC5-[(Z)-1-chloro-2-(5-methylthiophen-2-yl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESCc1ccc(/C=C(\Cl)c2nc(-c3ccc(F)cc3)no2)s1
InChIInChI=1S/C15H10ClFN2OS/c1-9-2-7-12(21-9)8-13(16)15-18-14(19-20-15)10-3-5-11(17)6-4-10/h2-8H,1H3/b13-8-
InChIKeyCJRVUGKYQFQDLK-JYRVWZFOSA-N
MW320.78 g/mol
LogP4.98
Rot. Bonds3

About 5-[(Z)-1-chloro-2-(5-methylthiophen-2-yl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole

5-[(Z)-1-chloro-2-(5-methylthiophen-2-yl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 9036650) has the molecular formula C15H10ClFN2OS and a molecular weight of 320.78 g/mol. Its IUPAC name is 5-[(Z)-1-chloro-2-(5-methylthiophen-2-yl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(Z)-1-chloro-2-(5-methylthiophen-2-yl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
PubChem CID9036650
Molecular FormulaC15H10ClFN2OS
Molecular Weight320.78 g/mol
Exact Mass320.02
IUPAC Name5-[(Z)-1-chloro-2-(5-methylthiophen-2-yl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESCc1ccc(/C=C(\Cl)c2nc(-c3ccc(F)cc3)no2)s1
InChIInChI=1S/C15H10ClFN2OS/c1-9-2-7-12(21-9)8-13(16)15-18-14(19-20-15)10-3-5-11(17)6-4-10/h2-8H,1H3/b13-8-
InChIKeyCJRVUGKYQFQDLK-JYRVWZFOSA-N
XLogP4.98
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-1-chloro-2-(5-methylthiophen-2-yl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(Z)-1-chloro-2-(5-methylthiophen-2-yl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole (CID 9036650) is 5-[(Z)-1-chloro-2-(5-methylthiophen-2-yl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(Z)-1-chloro-2-(5-methylthiophen-2-yl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(Z)-1-chloro-2-(5-methylthiophen-2-yl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole is Cc1ccc(/C=C(\Cl)c2nc(-c3ccc(F)cc3)no2)s1.
What is the InChIKey of 5-[(Z)-1-chloro-2-(5-methylthiophen-2-yl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is CJRVUGKYQFQDLK-JYRVWZFOSA-N. The full InChI is InChI=1S/C15H10ClFN2OS/c1-9-2-7-12(21-9)8-13(16)15-18-14(19-20-15)10-3-5-11(17)6-4-10/h2-8H,1H3/b13-8-.
What are the key properties of 5-[(Z)-1-chloro-2-(5-methylthiophen-2-yl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole?
5-[(Z)-1-chloro-2-(5-methylthiophen-2-yl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 320.78 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-1-chloro-2-(5-methylthiophen-2-yl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 9036650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).