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

C25H20FN7O — CID 53008653

IUPAC2-(4-fluorophenyl)-5-[4-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-2-yl]-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(-c3nc(N4CCN(c5ccccn5)CC4)c4ccccc4n3)o2)cc1
InChIInChI=1S/C25H20FN7O/c26-18-10-8-17(9-11-18)24-30-31-25(34-24)22-28-20-6-2-1-5-19(20)23(29-22)33-15-13-32(14-16-33)21-7-3-4-12-27-21/h1-12H,13-16H2
InChIKeyNDCWVSXCNOFNFY-UHFFFAOYSA-N
MW453.48 g/mol
LogP4.21
Rot. Bonds4

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

2-(4-fluorophenyl)-5-[4-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-2-yl]-1,3,4-oxadiazole (PubChem CID 53008653) has the molecular formula C25H20FN7O and a molecular weight of 453.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[4-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[4-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-2-yl]-1,3,4-oxadiazole
PubChem CID53008653
Molecular FormulaC25H20FN7O
Molecular Weight453.48 g/mol
Exact Mass453.17
IUPAC Name2-(4-fluorophenyl)-5-[4-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-2-yl]-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(-c3nc(N4CCN(c5ccccn5)CC4)c4ccccc4n3)o2)cc1
InChIInChI=1S/C25H20FN7O/c26-18-10-8-17(9-11-18)24-30-31-25(34-24)22-28-20-6-2-1-5-19(20)23(29-22)33-15-13-32(14-16-33)21-7-3-4-12-27-21/h1-12H,13-16H2
InChIKeyNDCWVSXCNOFNFY-UHFFFAOYSA-N
XLogP4.21
TPSA84.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.48
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[4-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-fluorophenyl)-5-[4-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-2-yl]-1,3,4-oxadiazole (CID 53008653) is 2-(4-fluorophenyl)-5-[4-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[4-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-[4-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-2-yl]-1,3,4-oxadiazole is Fc1ccc(-c2nnc(-c3nc(N4CCN(c5ccccn5)CC4)c4ccccc4n3)o2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-[4-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-2-yl]-1,3,4-oxadiazole?
The InChIKey is NDCWVSXCNOFNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN7O/c26-18-10-8-17(9-11-18)24-30-31-25(34-24)22-28-20-6-2-1-5-19(20)23(29-22)33-15-13-32(14-16-33)21-7-3-4-12-27-21/h1-12H,13-16H2.
What are the key properties of 2-(4-fluorophenyl)-5-[4-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-2-yl]-1,3,4-oxadiazole?
2-(4-fluorophenyl)-5-[4-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-2-yl]-1,3,4-oxadiazole has a molecular weight of 453.48 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[4-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 53008653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).