5-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-3-(3-chlorophenyl)-1,2,4-oxadiazole

C18H12Cl2N4O — CID 1477462

IUPAC5-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-3-(3-chlorophenyl)-1,2,4-oxadiazole
SMILESCn1nc(-c2ccccc2)c(-c2nc(-c3cccc(Cl)c3)no2)c1Cl
InChIInChI=1S/C18H12Cl2N4O/c1-24-16(20)14(15(22-24)11-6-3-2-4-7-11)18-21-17(23-25-18)12-8-5-9-13(19)10-12/h2-10H,1H3
InChIKeyRSSVYLJLUGUVDK-UHFFFAOYSA-N
MW371.23 g/mol
LogP5.11
Rot. Bonds3

About 5-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-3-(3-chlorophenyl)-1,2,4-oxadiazole

5-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-3-(3-chlorophenyl)-1,2,4-oxadiazole (PubChem CID 1477462) has the molecular formula C18H12Cl2N4O and a molecular weight of 371.23 g/mol. Its IUPAC name is 5-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-3-(3-chlorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-3-(3-chlorophenyl)-1,2,4-oxadiazole
PubChem CID1477462
Molecular FormulaC18H12Cl2N4O
Molecular Weight371.23 g/mol
Exact Mass370.04
IUPAC Name5-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-3-(3-chlorophenyl)-1,2,4-oxadiazole
SMILESCn1nc(-c2ccccc2)c(-c2nc(-c3cccc(Cl)c3)no2)c1Cl
InChIInChI=1S/C18H12Cl2N4O/c1-24-16(20)14(15(22-24)11-6-3-2-4-7-11)18-21-17(23-25-18)12-8-5-9-13(19)10-12/h2-10H,1H3
InChIKeyRSSVYLJLUGUVDK-UHFFFAOYSA-N
XLogP5.11
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.23
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-3-(3-chlorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-3-(3-chlorophenyl)-1,2,4-oxadiazole (CID 1477462) is 5-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-3-(3-chlorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-3-(3-chlorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-3-(3-chlorophenyl)-1,2,4-oxadiazole is Cn1nc(-c2ccccc2)c(-c2nc(-c3cccc(Cl)c3)no2)c1Cl.
What is the InChIKey of 5-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-3-(3-chlorophenyl)-1,2,4-oxadiazole?
The InChIKey is RSSVYLJLUGUVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N4O/c1-24-16(20)14(15(22-24)11-6-3-2-4-7-11)18-21-17(23-25-18)12-8-5-9-13(19)10-12/h2-10H,1H3.
What are the key properties of 5-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-3-(3-chlorophenyl)-1,2,4-oxadiazole?
5-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-3-(3-chlorophenyl)-1,2,4-oxadiazole has a molecular weight of 371.23 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-3-(3-chlorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 1477462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).