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

C16H20FN3O — CID 47008938

IUPAC3-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2CCN(Cc3ccccc3F)CC2)no1
InChIInChI=1S/C16H20FN3O/c1-13-10-15(18-21-13)12-20-8-6-19(7-9-20)11-14-4-2-3-5-16(14)17/h2-5,10H,6-9,11-12H2,1H3
InChIKeyVPBMAKNHOROKGJ-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.44
Rot. Bonds4

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

3-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole (PubChem CID 47008938) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 3-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
PubChem CID47008938
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name3-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2CCN(Cc3ccccc3F)CC2)no1
InChIInChI=1S/C16H20FN3O/c1-13-10-15(18-21-13)12-20-8-6-19(7-9-20)11-14-4-2-3-5-16(14)17/h2-5,10H,6-9,11-12H2,1H3
InChIKeyVPBMAKNHOROKGJ-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 3-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole (CID 47008938) is 3-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole is Cc1cc(CN2CCN(Cc3ccccc3F)CC2)no1.
What is the InChIKey of 3-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The InChIKey is VPBMAKNHOROKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-13-10-15(18-21-13)12-20-8-6-19(7-9-20)11-14-4-2-3-5-16(14)17/h2-5,10H,6-9,11-12H2,1H3.
What are the key properties of 3-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
3-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-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 3-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 47008938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).