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

C15H18FN3O2 — CID 47068994

IUPAC2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazol-3-one
SMILESCc1cc(=O)n(CN2CCN(c3ccc(F)cc3)CC2)o1
InChIInChI=1S/C15H18FN3O2/c1-12-10-15(20)19(21-12)11-17-6-8-18(9-7-17)14-4-2-13(16)3-5-14/h2-5,10H,6-9,11H2,1H3
InChIKeyDDBAMBZXEDKTPD-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.67
Rot. Bonds3

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

2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazol-3-one (PubChem CID 47068994) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazol-3-one.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazol-3-one
PubChem CID47068994
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazol-3-one
SMILESCc1cc(=O)n(CN2CCN(c3ccc(F)cc3)CC2)o1
InChIInChI=1S/C15H18FN3O2/c1-12-10-15(20)19(21-12)11-17-6-8-18(9-7-17)14-4-2-13(16)3-5-14/h2-5,10H,6-9,11H2,1H3
InChIKeyDDBAMBZXEDKTPD-UHFFFAOYSA-N
XLogP1.67
TPSA41.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazol-3-one?
The IUPAC name of 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazol-3-one (CID 47068994) is 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazol-3-one.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazol-3-one?
The canonical SMILES for 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazol-3-one is Cc1cc(=O)n(CN2CCN(c3ccc(F)cc3)CC2)o1.
What is the InChIKey of 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazol-3-one?
The InChIKey is DDBAMBZXEDKTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-12-10-15(20)19(21-12)11-17-6-8-18(9-7-17)14-4-2-13(16)3-5-14/h2-5,10H,6-9,11H2,1H3.
What are the key properties of 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazol-3-one?
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazol-3-one has a molecular weight of 291.33 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazol-3-one is sourced from PubChem (CID 47068994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).