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

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

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Related Compounds

N-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
CID 71449521
6-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6H-indolo[2,3-b]quinoxaline
CID 2234193
4-(4-{[2-(2,5-Difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazin-1-yl)quinazoline
CID 16187598
N-[2-methyl-5-[5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 127042288
2-[4-Fluoro-3-(trifluoromethyl)phenyl]-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole
CID 71449524
2-[4-(1,8-Naphthyridin-2-yl)butyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 71451316
AChE-IN-63
CID 15990123
2-(4-Fluorophenyl)-5-{[4-(2-pyridyl)piperazino]methyl}-1,3,4-oxadiazole
CID 15990229
3-(5-Phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-5-ylpyrazin-2-amine
CID 59471926
5-(6-Morpholino-3-pyridyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine
CID 59471946
3-(5-Phenyl-1,3,4-oxadiazol-2-yl)-5-quinolin-6-ylpyrazin-2-amine
CID 59472048
2-[(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 53562048

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).