2-(3-fluorophenyl)-4-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole

C24H23FN4O — CID 56665539

IUPAC2-(3-fluorophenyl)-4-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole
SMILESCc1cc(N2CCN(Cc3coc(-c4cccc(F)c4)n3)CC2)c2ccccc2n1
InChIInChI=1S/C24H23FN4O/c1-17-13-23(21-7-2-3-8-22(21)26-17)29-11-9-28(10-12-29)15-20-16-30-24(27-20)18-5-4-6-19(25)14-18/h2-8,13-14,16H,9-12,15H2,1H3
InChIKeyUFRBXTATZZRPSI-UHFFFAOYSA-N
MW402.47 g/mol
LogP4.66
Rot. Bonds4

About 2-(3-fluorophenyl)-4-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole

2-(3-fluorophenyl)-4-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole (PubChem CID 56665539) has the molecular formula C24H23FN4O and a molecular weight of 402.47 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole
PubChem CID56665539
Molecular FormulaC24H23FN4O
Molecular Weight402.47 g/mol
Exact Mass402.19
IUPAC Name2-(3-fluorophenyl)-4-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole
SMILESCc1cc(N2CCN(Cc3coc(-c4cccc(F)c4)n3)CC2)c2ccccc2n1
InChIInChI=1S/C24H23FN4O/c1-17-13-23(21-7-2-3-8-22(21)26-17)29-11-9-28(10-12-29)15-20-16-30-24(27-20)18-5-4-6-19(25)14-18/h2-8,13-14,16H,9-12,15H2,1H3
InChIKeyUFRBXTATZZRPSI-UHFFFAOYSA-N
XLogP4.66
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-(3-fluorophenyl)-4-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole (CID 56665539) is 2-(3-fluorophenyl)-4-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-(3-fluorophenyl)-4-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-(3-fluorophenyl)-4-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole is Cc1cc(N2CCN(Cc3coc(-c4cccc(F)c4)n3)CC2)c2ccccc2n1.
What is the InChIKey of 2-(3-fluorophenyl)-4-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole?
The InChIKey is UFRBXTATZZRPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O/c1-17-13-23(21-7-2-3-8-22(21)26-17)29-11-9-28(10-12-29)15-20-16-30-24(27-20)18-5-4-6-19(25)14-18/h2-8,13-14,16H,9-12,15H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-4-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole?
2-(3-fluorophenyl)-4-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole has a molecular weight of 402.47 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-[[4-(2-methylquinolin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 56665539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).