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

C16H20FN3O — CID 56916105

IUPAC4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-oxazole
SMILESCc1nc(CN2CCN(Cc3cccc(F)c3)CC2)co1
InChIInChI=1S/C16H20FN3O/c1-13-18-16(12-21-13)11-20-7-5-19(6-8-20)10-14-3-2-4-15(17)9-14/h2-4,9,12H,5-8,10-11H2,1H3
InChIKeyBWVJQTWTWBYDFD-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.44
Rot. Bonds4

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

4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-oxazole (PubChem CID 56916105) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-oxazole
PubChem CID56916105
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-oxazole
SMILESCc1nc(CN2CCN(Cc3cccc(F)c3)CC2)co1
InChIInChI=1S/C16H20FN3O/c1-13-18-16(12-21-13)11-20-7-5-19(6-8-20)10-14-3-2-4-15(17)9-14/h2-4,9,12H,5-8,10-11H2,1H3
InChIKeyBWVJQTWTWBYDFD-UHFFFAOYSA-N
XLogP2.44
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-oxazole?
The IUPAC name of 4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-oxazole (CID 56916105) is 4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-oxazole?
The canonical SMILES for 4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-oxazole is Cc1nc(CN2CCN(Cc3cccc(F)c3)CC2)co1.
What is the InChIKey of 4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-oxazole?
The InChIKey is BWVJQTWTWBYDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-13-18-16(12-21-13)11-20-7-5-19(6-8-20)10-14-3-2-4-15(17)9-14/h2-4,9,12H,5-8,10-11H2,1H3.
What are the key properties of 4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-oxazole?
4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-oxazole has a molecular weight of 289.35 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-oxazole is sourced from PubChem (CID 56916105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).