2-[(3-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole

C24H21ClFN5O — CID 22433681

IUPAC2-[(3-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1cccc(-c2nnc(C(c3cccc(Cl)c3)N3CCN(c4ccccn4)CC3)o2)c1
InChIInChI=1S/C24H21ClFN5O/c25-19-7-3-5-17(15-19)22(24-29-28-23(32-24)18-6-4-8-20(26)16-18)31-13-11-30(12-14-31)21-9-1-2-10-27-21/h1-10,15-16,22H,11-14H2
InChIKeyVPDCCQRJJKBHBP-UHFFFAOYSA-N
MW449.92 g/mol
LogP4.84
Rot. Bonds5

About 2-[(3-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole

2-[(3-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 22433681) has the molecular formula C24H21ClFN5O and a molecular weight of 449.92 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole
PubChem CID22433681
Molecular FormulaC24H21ClFN5O
Molecular Weight449.92 g/mol
Exact Mass449.14
IUPAC Name2-[(3-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1cccc(-c2nnc(C(c3cccc(Cl)c3)N3CCN(c4ccccn4)CC3)o2)c1
InChIInChI=1S/C24H21ClFN5O/c25-19-7-3-5-17(15-19)22(24-29-28-23(32-24)18-6-4-8-20(26)16-18)31-13-11-30(12-14-31)21-9-1-2-10-27-21/h1-10,15-16,22H,11-14H2
InChIKeyVPDCCQRJJKBHBP-UHFFFAOYSA-N
XLogP4.84
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.92
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(3-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole (CID 22433681) is 2-[(3-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole is Fc1cccc(-c2nnc(C(c3cccc(Cl)c3)N3CCN(c4ccccn4)CC3)o2)c1.
What is the InChIKey of 2-[(3-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is VPDCCQRJJKBHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN5O/c25-19-7-3-5-17(15-19)22(24-29-28-23(32-24)18-6-4-8-20(26)16-18)31-13-11-30(12-14-31)21-9-1-2-10-27-21/h1-10,15-16,22H,11-14H2.
What are the key properties of 2-[(3-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole?
2-[(3-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 449.92 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 22433681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).