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

C20H19ClFN3O — CID 1484776

IUPAC5-(2-chlorophenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole
SMILESFc1ccccc1N1CCN(Cc2cc(-c3ccccc3Cl)on2)CC1
InChIInChI=1S/C20H19ClFN3O/c21-17-6-2-1-5-16(17)20-13-15(23-26-20)14-24-9-11-25(12-10-24)19-8-4-3-7-18(19)22/h1-8,13H,9-12,14H2
InChIKeyPPIQNGFQGGDHTM-UHFFFAOYSA-N
MW371.84 g/mol
LogP4.46
Rot. Bonds4

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

5-(2-chlorophenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole (PubChem CID 1484776) has the molecular formula C20H19ClFN3O and a molecular weight of 371.84 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole
PubChem CID1484776
Molecular FormulaC20H19ClFN3O
Molecular Weight371.84 g/mol
Exact Mass371.12
IUPAC Name5-(2-chlorophenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole
SMILESFc1ccccc1N1CCN(Cc2cc(-c3ccccc3Cl)on2)CC1
InChIInChI=1S/C20H19ClFN3O/c21-17-6-2-1-5-16(17)20-13-15(23-26-20)14-24-9-11-25(12-10-24)19-8-4-3-7-18(19)22/h1-8,13H,9-12,14H2
InChIKeyPPIQNGFQGGDHTM-UHFFFAOYSA-N
XLogP4.46
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.84
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-(2-chlorophenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole (CID 1484776) is 5-(2-chlorophenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-(2-chlorophenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-(2-chlorophenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole is Fc1ccccc1N1CCN(Cc2cc(-c3ccccc3Cl)on2)CC1.
What is the InChIKey of 5-(2-chlorophenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole?
The InChIKey is PPIQNGFQGGDHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O/c21-17-6-2-1-5-16(17)20-13-15(23-26-20)14-24-9-11-25(12-10-24)19-8-4-3-7-18(19)22/h1-8,13H,9-12,14H2.
What are the key properties of 5-(2-chlorophenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole?
5-(2-chlorophenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole has a molecular weight of 371.84 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 1484776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).