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

C17H22FN3O — CID 75423302

IUPAC2-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCc1cnc(CN2CCN(C(C)c3ccccc3F)CC2)o1
InChIInChI=1S/C17H22FN3O/c1-13-11-19-17(22-13)12-20-7-9-21(10-8-20)14(2)15-5-3-4-6-16(15)18/h3-6,11,14H,7-10,12H2,1-2H3
InChIKeyQOMHFMPIPICTGY-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.00
Rot. Bonds4

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

2-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-5-methyl-1,3-oxazole (PubChem CID 75423302) has the molecular formula C17H22FN3O and a molecular weight of 303.38 g/mol. Its IUPAC name is 2-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
PubChem CID75423302
Molecular FormulaC17H22FN3O
Molecular Weight303.38 g/mol
Exact Mass303.17
IUPAC Name2-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCc1cnc(CN2CCN(C(C)c3ccccc3F)CC2)o1
InChIInChI=1S/C17H22FN3O/c1-13-11-19-17(22-13)12-20-7-9-21(10-8-20)14(2)15-5-3-4-6-16(15)18/h3-6,11,14H,7-10,12H2,1-2H3
InChIKeyQOMHFMPIPICTGY-UHFFFAOYSA-N
XLogP3.00
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-5-methyl-1,3-oxazole (CID 75423302) is 2-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-5-methyl-1,3-oxazole is Cc1cnc(CN2CCN(C(C)c3ccccc3F)CC2)o1.
What is the InChIKey of 2-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-5-methyl-1,3-oxazole?
The InChIKey is QOMHFMPIPICTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O/c1-13-11-19-17(22-13)12-20-7-9-21(10-8-20)14(2)15-5-3-4-6-16(15)18/h3-6,11,14H,7-10,12H2,1-2H3.
What are the key properties of 2-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-5-methyl-1,3-oxazole?
2-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-5-methyl-1,3-oxazole has a molecular weight of 303.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]methyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 75423302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).