2-[[4-[(5-fluoroquinolin-8-yl)methyl]piperazin-1-yl]methyl]-4-phenyl-1,3-oxazole

C24H23FN4O — CID 86895343

IUPAC2-[[4-[(5-fluoroquinolin-8-yl)methyl]piperazin-1-yl]methyl]-4-phenyl-1,3-oxazole
SMILESFc1ccc(CN2CCN(Cc3nc(-c4ccccc4)co3)CC2)c2ncccc12
InChIInChI=1S/C24H23FN4O/c25-21-9-8-19(24-20(21)7-4-10-26-24)15-28-11-13-29(14-12-28)16-23-27-22(17-30-23)18-5-2-1-3-6-18/h1-10,17H,11-16H2
InChIKeyUEHLGMQOZSWPOD-UHFFFAOYSA-N
MW402.47 g/mol
LogP4.35
Rot. Bonds5

About 2-[[4-[(5-fluoroquinolin-8-yl)methyl]piperazin-1-yl]methyl]-4-phenyl-1,3-oxazole

2-[[4-[(5-fluoroquinolin-8-yl)methyl]piperazin-1-yl]methyl]-4-phenyl-1,3-oxazole (PubChem CID 86895343) has the molecular formula C24H23FN4O and a molecular weight of 402.47 g/mol. Its IUPAC name is 2-[[4-[(5-fluoroquinolin-8-yl)methyl]piperazin-1-yl]methyl]-4-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-[[4-[(5-fluoroquinolin-8-yl)methyl]piperazin-1-yl]methyl]-4-phenyl-1,3-oxazole
PubChem CID86895343
Molecular FormulaC24H23FN4O
Molecular Weight402.47 g/mol
Exact Mass402.19
IUPAC Name2-[[4-[(5-fluoroquinolin-8-yl)methyl]piperazin-1-yl]methyl]-4-phenyl-1,3-oxazole
SMILESFc1ccc(CN2CCN(Cc3nc(-c4ccccc4)co3)CC2)c2ncccc12
InChIInChI=1S/C24H23FN4O/c25-21-9-8-19(24-20(21)7-4-10-26-24)15-28-11-13-29(14-12-28)16-23-27-22(17-30-23)18-5-2-1-3-6-18/h1-10,17H,11-16H2
InChIKeyUEHLGMQOZSWPOD-UHFFFAOYSA-N
XLogP4.35
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(5-fluoroquinolin-8-yl)methyl]piperazin-1-yl]methyl]-4-phenyl-1,3-oxazole?
The IUPAC name of 2-[[4-[(5-fluoroquinolin-8-yl)methyl]piperazin-1-yl]methyl]-4-phenyl-1,3-oxazole (CID 86895343) is 2-[[4-[(5-fluoroquinolin-8-yl)methyl]piperazin-1-yl]methyl]-4-phenyl-1,3-oxazole.
What is the SMILES notation for 2-[[4-[(5-fluoroquinolin-8-yl)methyl]piperazin-1-yl]methyl]-4-phenyl-1,3-oxazole?
The canonical SMILES for 2-[[4-[(5-fluoroquinolin-8-yl)methyl]piperazin-1-yl]methyl]-4-phenyl-1,3-oxazole is Fc1ccc(CN2CCN(Cc3nc(-c4ccccc4)co3)CC2)c2ncccc12.
What is the InChIKey of 2-[[4-[(5-fluoroquinolin-8-yl)methyl]piperazin-1-yl]methyl]-4-phenyl-1,3-oxazole?
The InChIKey is UEHLGMQOZSWPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O/c25-21-9-8-19(24-20(21)7-4-10-26-24)15-28-11-13-29(14-12-28)16-23-27-22(17-30-23)18-5-2-1-3-6-18/h1-10,17H,11-16H2.
What are the key properties of 2-[[4-[(5-fluoroquinolin-8-yl)methyl]piperazin-1-yl]methyl]-4-phenyl-1,3-oxazole?
2-[[4-[(5-fluoroquinolin-8-yl)methyl]piperazin-1-yl]methyl]-4-phenyl-1,3-oxazole has a molecular weight of 402.47 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(5-fluoroquinolin-8-yl)methyl]piperazin-1-yl]methyl]-4-phenyl-1,3-oxazole is sourced from PubChem (CID 86895343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).