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

C19H21FN4O — CID 56812503

IUPAC3-[[4-[(5-fluoroquinolin-8-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2CCN(Cc3ccc(F)c4cccnc34)CC2)no1
InChIInChI=1S/C19H21FN4O/c1-14-11-16(22-25-14)13-24-9-7-23(8-10-24)12-15-4-5-18(20)17-3-2-6-21-19(15)17/h2-6,11H,7-10,12-13H2,1H3
InChIKeyLOMLBYWCZUMHMF-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.99
Rot. Bonds4

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

3-[[4-[(5-fluoroquinolin-8-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole (PubChem CID 56812503) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 3-[[4-[(5-fluoroquinolin-8-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-[(5-fluoroquinolin-8-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
PubChem CID56812503
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name3-[[4-[(5-fluoroquinolin-8-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2CCN(Cc3ccc(F)c4cccnc34)CC2)no1
InChIInChI=1S/C19H21FN4O/c1-14-11-16(22-25-14)13-24-9-7-23(8-10-24)12-15-4-5-18(20)17-3-2-6-21-19(15)17/h2-6,11H,7-10,12-13H2,1H3
InChIKeyLOMLBYWCZUMHMF-UHFFFAOYSA-N
XLogP2.99
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(5-fluoroquinolin-8-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[4-[(5-fluoroquinolin-8-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole (CID 56812503) is 3-[[4-[(5-fluoroquinolin-8-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[4-[(5-fluoroquinolin-8-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[4-[(5-fluoroquinolin-8-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole is Cc1cc(CN2CCN(Cc3ccc(F)c4cccnc34)CC2)no1.
What is the InChIKey of 3-[[4-[(5-fluoroquinolin-8-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The InChIKey is LOMLBYWCZUMHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-14-11-16(22-25-14)13-24-9-7-23(8-10-24)12-15-4-5-18(20)17-3-2-6-21-19(15)17/h2-6,11H,7-10,12-13H2,1H3.
What are the key properties of 3-[[4-[(5-fluoroquinolin-8-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
3-[[4-[(5-fluoroquinolin-8-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole has a molecular weight of 340.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(5-fluoroquinolin-8-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 56812503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).