3-[5-(4-chlorophenyl)furan-2-yl]-5-(5-fluoro-2-pyridinyl)-4-(4-piperazin-1-ylphenyl)-5H-1,2,4-oxadiazole

C27H23ClFN5O2 — CID 70683872

IUPAC3-[5-(4-chlorophenyl)furan-2-yl]-5-(5-fluoro-2-pyridinyl)-4-(4-piperazin-1-ylphenyl)-5H-1,2,4-oxadiazole
SMILESFc1ccc(C2ON=C(c3ccc(-c4ccc(Cl)cc4)o3)N2c2ccc(N3CCNCC3)cc2)nc1
InChIInChI=1S/C27H23ClFN5O2/c28-19-3-1-18(2-4-19)24-11-12-25(35-24)26-32-36-27(23-10-5-20(29)17-31-23)34(26)22-8-6-21(7-9-22)33-15-13-30-14-16-33/h1-12,17,27,30H,13-16H2
InChIKeyWGJIAMSLBTZDEA-UHFFFAOYSA-N
MW503.97 g/mol
LogP5.44
Rot. Bonds5

About 3-[5-(4-chlorophenyl)furan-2-yl]-5-(5-fluoro-2-pyridinyl)-4-(4-piperazin-1-ylphenyl)-5H-1,2,4-oxadiazole

3-[5-(4-chlorophenyl)furan-2-yl]-5-(5-fluoro-2-pyridinyl)-4-(4-piperazin-1-ylphenyl)-5H-1,2,4-oxadiazole (PubChem CID 70683872) has the molecular formula C27H23ClFN5O2 and a molecular weight of 503.97 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)furan-2-yl]-5-(5-fluoro-2-pyridinyl)-4-(4-piperazin-1-ylphenyl)-5H-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)furan-2-yl]-5-(5-fluoro-2-pyridinyl)-4-(4-piperazin-1-ylphenyl)-5H-1,2,4-oxadiazole
PubChem CID70683872
Molecular FormulaC27H23ClFN5O2
Molecular Weight503.97 g/mol
Exact Mass503.15
IUPAC Name3-[5-(4-chlorophenyl)furan-2-yl]-5-(5-fluoro-2-pyridinyl)-4-(4-piperazin-1-ylphenyl)-5H-1,2,4-oxadiazole
SMILESFc1ccc(C2ON=C(c3ccc(-c4ccc(Cl)cc4)o3)N2c2ccc(N3CCNCC3)cc2)nc1
InChIInChI=1S/C27H23ClFN5O2/c28-19-3-1-18(2-4-19)24-11-12-25(35-24)26-32-36-27(23-10-5-20(29)17-31-23)34(26)22-8-6-21(7-9-22)33-15-13-30-14-16-33/h1-12,17,27,30H,13-16H2
InChIKeyWGJIAMSLBTZDEA-UHFFFAOYSA-N
XLogP5.44
TPSA66.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.97
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)furan-2-yl]-5-(5-fluoro-2-pyridinyl)-4-(4-piperazin-1-ylphenyl)-5H-1,2,4-oxadiazole?
The IUPAC name of 3-[5-(4-chlorophenyl)furan-2-yl]-5-(5-fluoro-2-pyridinyl)-4-(4-piperazin-1-ylphenyl)-5H-1,2,4-oxadiazole (CID 70683872) is 3-[5-(4-chlorophenyl)furan-2-yl]-5-(5-fluoro-2-pyridinyl)-4-(4-piperazin-1-ylphenyl)-5H-1,2,4-oxadiazole.
What is the SMILES notation for 3-[5-(4-chlorophenyl)furan-2-yl]-5-(5-fluoro-2-pyridinyl)-4-(4-piperazin-1-ylphenyl)-5H-1,2,4-oxadiazole?
The canonical SMILES for 3-[5-(4-chlorophenyl)furan-2-yl]-5-(5-fluoro-2-pyridinyl)-4-(4-piperazin-1-ylphenyl)-5H-1,2,4-oxadiazole is Fc1ccc(C2ON=C(c3ccc(-c4ccc(Cl)cc4)o3)N2c2ccc(N3CCNCC3)cc2)nc1.
What is the InChIKey of 3-[5-(4-chlorophenyl)furan-2-yl]-5-(5-fluoro-2-pyridinyl)-4-(4-piperazin-1-ylphenyl)-5H-1,2,4-oxadiazole?
The InChIKey is WGJIAMSLBTZDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClFN5O2/c28-19-3-1-18(2-4-19)24-11-12-25(35-24)26-32-36-27(23-10-5-20(29)17-31-23)34(26)22-8-6-21(7-9-22)33-15-13-30-14-16-33/h1-12,17,27,30H,13-16H2.
What are the key properties of 3-[5-(4-chlorophenyl)furan-2-yl]-5-(5-fluoro-2-pyridinyl)-4-(4-piperazin-1-ylphenyl)-5H-1,2,4-oxadiazole?
3-[5-(4-chlorophenyl)furan-2-yl]-5-(5-fluoro-2-pyridinyl)-4-(4-piperazin-1-ylphenyl)-5H-1,2,4-oxadiazole has a molecular weight of 503.97 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)furan-2-yl]-5-(5-fluoro-2-pyridinyl)-4-(4-piperazin-1-ylphenyl)-5H-1,2,4-oxadiazole is sourced from PubChem (CID 70683872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).