5-(4-fluorophenyl)-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-oxazole

C21H22FN3O — CID 9029642

IUPAC5-(4-fluorophenyl)-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-oxazole
SMILESCc1ccccc1N1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1
InChIInChI=1S/C21H22FN3O/c1-16-4-2-3-5-19(16)25-12-10-24(11-13-25)15-21-23-14-20(26-21)17-6-8-18(22)9-7-17/h2-9,14H,10-13,15H2,1H3
InChIKeyFUPPDZLLRDCGHZ-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.11
Rot. Bonds4

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

5-(4-fluorophenyl)-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-oxazole (PubChem CID 9029642) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-oxazole
PubChem CID9029642
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name5-(4-fluorophenyl)-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-oxazole
SMILESCc1ccccc1N1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1
InChIInChI=1S/C21H22FN3O/c1-16-4-2-3-5-19(16)25-12-10-24(11-13-25)15-21-23-14-20(26-21)17-6-8-18(22)9-7-17/h2-9,14H,10-13,15H2,1H3
InChIKeyFUPPDZLLRDCGHZ-UHFFFAOYSA-N
XLogP4.11
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 5-(4-fluorophenyl)-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-oxazole (CID 9029642) is 5-(4-fluorophenyl)-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 5-(4-fluorophenyl)-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 5-(4-fluorophenyl)-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-oxazole is Cc1ccccc1N1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1.
What is the InChIKey of 5-(4-fluorophenyl)-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-oxazole?
The InChIKey is FUPPDZLLRDCGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-16-4-2-3-5-19(16)25-12-10-24(11-13-25)15-21-23-14-20(26-21)17-6-8-18(22)9-7-17/h2-9,14H,10-13,15H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-oxazole?
5-(4-fluorophenyl)-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-oxazole has a molecular weight of 351.43 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 9029642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).