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

C18H18FN3OS — CID 8704082

IUPAC4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
SMILESFc1ccc(N2CCN(Cc3coc(-c4cccs4)n3)CC2)cc1
InChIInChI=1S/C18H18FN3OS/c19-14-3-5-16(6-4-14)22-9-7-21(8-10-22)12-15-13-23-18(20-15)17-2-1-11-24-17/h1-6,11,13H,7-10,12H2
InChIKeyCUHZBGJBZHCLRH-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.86
Rot. Bonds4

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

4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole (PubChem CID 8704082) has the molecular formula C18H18FN3OS and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
PubChem CID8704082
Molecular FormulaC18H18FN3OS
Molecular Weight343.43 g/mol
Exact Mass343.12
IUPAC Name4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
SMILESFc1ccc(N2CCN(Cc3coc(-c4cccs4)n3)CC2)cc1
InChIInChI=1S/C18H18FN3OS/c19-14-3-5-16(6-4-14)22-9-7-21(8-10-22)12-15-13-23-18(20-15)17-2-1-11-24-17/h1-6,11,13H,7-10,12H2
InChIKeyCUHZBGJBZHCLRH-UHFFFAOYSA-N
XLogP3.86
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole (CID 8704082) is 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole is Fc1ccc(N2CCN(Cc3coc(-c4cccs4)n3)CC2)cc1.
What is the InChIKey of 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole?
The InChIKey is CUHZBGJBZHCLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3OS/c19-14-3-5-16(6-4-14)22-9-7-21(8-10-22)12-15-13-23-18(20-15)17-2-1-11-24-17/h1-6,11,13H,7-10,12H2.
What are the key properties of 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole?
4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole has a molecular weight of 343.43 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 8704082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).