5-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-fluorophenyl)-1,2,4-oxadiazole

C25H24FN5O — CID 53126761

IUPAC5-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-fluorophenyl)-1,2,4-oxadiazole
SMILESCc1cccc(N2CCN(c3ccc(-c4nc(-c5cccc(F)c5)no4)cn3)CC2)c1C
InChIInChI=1S/C25H24FN5O/c1-17-5-3-8-22(18(17)2)30-11-13-31(14-12-30)23-10-9-20(16-27-23)25-28-24(29-32-25)19-6-4-7-21(26)15-19/h3-10,15-16H,11-14H2,1-2H3
InChIKeyPWGBCQWZHSMRDN-UHFFFAOYSA-N
MW429.50 g/mol
LogP4.88
Rot. Bonds4

About 5-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-fluorophenyl)-1,2,4-oxadiazole

5-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 53126761) has the molecular formula C25H24FN5O and a molecular weight of 429.50 g/mol. Its IUPAC name is 5-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-fluorophenyl)-1,2,4-oxadiazole
PubChem CID53126761
Molecular FormulaC25H24FN5O
Molecular Weight429.50 g/mol
Exact Mass429.20
IUPAC Name5-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-fluorophenyl)-1,2,4-oxadiazole
SMILESCc1cccc(N2CCN(c3ccc(-c4nc(-c5cccc(F)c5)no4)cn3)CC2)c1C
InChIInChI=1S/C25H24FN5O/c1-17-5-3-8-22(18(17)2)30-11-13-31(14-12-30)23-10-9-20(16-27-23)25-28-24(29-32-25)19-6-4-7-21(26)15-19/h3-10,15-16H,11-14H2,1-2H3
InChIKeyPWGBCQWZHSMRDN-UHFFFAOYSA-N
XLogP4.88
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-fluorophenyl)-1,2,4-oxadiazole (CID 53126761) is 5-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-fluorophenyl)-1,2,4-oxadiazole is Cc1cccc(N2CCN(c3ccc(-c4nc(-c5cccc(F)c5)no4)cn3)CC2)c1C.
What is the InChIKey of 5-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is PWGBCQWZHSMRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O/c1-17-5-3-8-22(18(17)2)30-11-13-31(14-12-30)23-10-9-20(16-27-23)25-28-24(29-32-25)19-6-4-7-21(26)15-19/h3-10,15-16H,11-14H2,1-2H3.
What are the key properties of 5-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-fluorophenyl)-1,2,4-oxadiazole?
5-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 429.50 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 53126761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).