1-[4-[2-fluoro-4-[5-(triazol-1-yl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]ethanone

C17H19FN6O2 — CID 58601049

IUPAC1-[4-[2-fluoro-4-[5-(triazol-1-yl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(C3=NOC(n4ccnn4)C3)cc2F)CC1
InChIInChI=1S/C17H19FN6O2/c1-12(25)22-6-8-23(9-7-22)16-3-2-13(10-14(16)18)15-11-17(26-20-15)24-5-4-19-21-24/h2-5,10,17H,6-9,11H2,1H3
InChIKeyOLNFPFNPXADZSH-UHFFFAOYSA-N
MW358.38 g/mol
LogP1.41
Rot. Bonds3

About 1-[4-[2-fluoro-4-[5-(triazol-1-yl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]ethanone

1-[4-[2-fluoro-4-[5-(triazol-1-yl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]ethanone (PubChem CID 58601049) has the molecular formula C17H19FN6O2 and a molecular weight of 358.38 g/mol. Its IUPAC name is 1-[4-[2-fluoro-4-[5-(triazol-1-yl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-fluoro-4-[5-(triazol-1-yl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]ethanone
PubChem CID58601049
Molecular FormulaC17H19FN6O2
Molecular Weight358.38 g/mol
Exact Mass358.16
IUPAC Name1-[4-[2-fluoro-4-[5-(triazol-1-yl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(C3=NOC(n4ccnn4)C3)cc2F)CC1
InChIInChI=1S/C17H19FN6O2/c1-12(25)22-6-8-23(9-7-22)16-3-2-13(10-14(16)18)15-11-17(26-20-15)24-5-4-19-21-24/h2-5,10,17H,6-9,11H2,1H3
InChIKeyOLNFPFNPXADZSH-UHFFFAOYSA-N
XLogP1.41
TPSA75.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-fluoro-4-[5-(triazol-1-yl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-fluoro-4-[5-(triazol-1-yl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]ethanone (CID 58601049) is 1-[4-[2-fluoro-4-[5-(triazol-1-yl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-fluoro-4-[5-(triazol-1-yl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-fluoro-4-[5-(triazol-1-yl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc(C3=NOC(n4ccnn4)C3)cc2F)CC1.
What is the InChIKey of 1-[4-[2-fluoro-4-[5-(triazol-1-yl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]ethanone?
The InChIKey is OLNFPFNPXADZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6O2/c1-12(25)22-6-8-23(9-7-22)16-3-2-13(10-14(16)18)15-11-17(26-20-15)24-5-4-19-21-24/h2-5,10,17H,6-9,11H2,1H3.
What are the key properties of 1-[4-[2-fluoro-4-[5-(triazol-1-yl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]ethanone?
1-[4-[2-fluoro-4-[5-(triazol-1-yl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]ethanone has a molecular weight of 358.38 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-fluoro-4-[5-(triazol-1-yl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 58601049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).