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

C19H12Cl2N4O — CID 9039368

IUPAC3-(4-chlorophenyl)-5-[(Z)-1-chloro-2-(1-phenylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazole
SMILESCl/C(=C\c1cnn(-c2ccccc2)c1)c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C19H12Cl2N4O/c20-15-8-6-14(7-9-15)18-23-19(26-24-18)17(21)10-13-11-22-25(12-13)16-4-2-1-3-5-16/h1-12H/b17-10-
InChIKeyHCWROYZTVSUPGU-YVLHZVERSA-N
MW383.24 g/mol
LogP5.31
Rot. Bonds4

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

3-(4-chlorophenyl)-5-[(Z)-1-chloro-2-(1-phenylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazole (PubChem CID 9039368) has the molecular formula C19H12Cl2N4O and a molecular weight of 383.24 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[(Z)-1-chloro-2-(1-phenylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[(Z)-1-chloro-2-(1-phenylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazole
PubChem CID9039368
Molecular FormulaC19H12Cl2N4O
Molecular Weight383.24 g/mol
Exact Mass382.04
IUPAC Name3-(4-chlorophenyl)-5-[(Z)-1-chloro-2-(1-phenylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazole
SMILESCl/C(=C\c1cnn(-c2ccccc2)c1)c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C19H12Cl2N4O/c20-15-8-6-14(7-9-15)18-23-19(26-24-18)17(21)10-13-11-22-25(12-13)16-4-2-1-3-5-16/h1-12H/b17-10-
InChIKeyHCWROYZTVSUPGU-YVLHZVERSA-N
XLogP5.31
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.24
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(1-phenylpyrazol-4-yl)prop-2-enenitrile
CID 9335233
5-[(Z)-1-chloro-2-phenylethenyl]-3-phenyl-1,2,4-oxadiazole
CID 9038019
5-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 9036721
5-[(Z)-1-chloro-2-(3-nitrophenyl)ethenyl]-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 9039262
4-(4-chlorophenyl)-1-phenylpyrazole
CID 4152296
4-[(Z)-2-chloro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]-2,6-dimethylphenol
CID 135574248
(E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(1-phenylpyrazol-4-yl)prop-2-enenitrile
CID 27394978
5-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-3-phenyl-1,2,4-oxadiazole
CID 9038106
5-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 9041756
5-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-3-phenyl-1,2,4-oxadiazole
CID 9038059
N-[(E)-(1-phenylpyrazol-4-yl)methylideneamino]-3-pyridin-4-yl-1,2,4-oxadiazol-5-amine
CID 166179320
2-chloro-4-[(Z)-2-chloro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]-6-methoxyphenol
CID 135574251

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[(Z)-1-chloro-2-(1-phenylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-chlorophenyl)-5-[(Z)-1-chloro-2-(1-phenylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazole (CID 9039368) is 3-(4-chlorophenyl)-5-[(Z)-1-chloro-2-(1-phenylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[(Z)-1-chloro-2-(1-phenylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-[(Z)-1-chloro-2-(1-phenylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazole is Cl/C(=C\c1cnn(-c2ccccc2)c1)c1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 3-(4-chlorophenyl)-5-[(Z)-1-chloro-2-(1-phenylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazole?
The InChIKey is HCWROYZTVSUPGU-YVLHZVERSA-N. The full InChI is InChI=1S/C19H12Cl2N4O/c20-15-8-6-14(7-9-15)18-23-19(26-24-18)17(21)10-13-11-22-25(12-13)16-4-2-1-3-5-16/h1-12H/b17-10-.
What are the key properties of 3-(4-chlorophenyl)-5-[(Z)-1-chloro-2-(1-phenylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazole?
3-(4-chlorophenyl)-5-[(Z)-1-chloro-2-(1-phenylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazole has a molecular weight of 383.24 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-[(Z)-1-chloro-2-(1-phenylpyrazol-4-yl)ethenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 9039368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).