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

C19H21FN4O4 — CID 22022988

IUPAC1-[4-[2-fluoro-4-[5-(1,2-oxazol-3-yloxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(C3=NOC(COc4ccon4)C3)cc2F)CC1
InChIInChI=1S/C19H21FN4O4/c1-13(25)23-5-7-24(8-6-23)18-3-2-14(10-16(18)20)17-11-15(28-21-17)12-26-19-4-9-27-22-19/h2-4,9-10,15H,5-8,11-12H2,1H3
InChIKeyNGCUOSSAEMEDKL-UHFFFAOYSA-N
MW388.40 g/mol
LogP2.05
Rot. Bonds5

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

1-[4-[2-fluoro-4-[5-(1,2-oxazol-3-yloxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]ethanone (PubChem CID 22022988) has the molecular formula C19H21FN4O4 and a molecular weight of 388.40 g/mol. Its IUPAC name is 1-[4-[2-fluoro-4-[5-(1,2-oxazol-3-yloxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-fluoro-4-[5-(1,2-oxazol-3-yloxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]ethanone
PubChem CID22022988
Molecular FormulaC19H21FN4O4
Molecular Weight388.40 g/mol
Exact Mass388.15
IUPAC Name1-[4-[2-fluoro-4-[5-(1,2-oxazol-3-yloxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(C3=NOC(COc4ccon4)C3)cc2F)CC1
InChIInChI=1S/C19H21FN4O4/c1-13(25)23-5-7-24(8-6-23)18-3-2-14(10-16(18)20)17-11-15(28-21-17)12-26-19-4-9-27-22-19/h2-4,9-10,15H,5-8,11-12H2,1H3
InChIKeyNGCUOSSAEMEDKL-UHFFFAOYSA-N
XLogP2.05
TPSA80.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 52.05
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-(1,2-oxazol-3-yloxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-fluoro-4-[5-(1,2-oxazol-3-yloxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]ethanone (CID 22022988) is 1-[4-[2-fluoro-4-[5-(1,2-oxazol-3-yloxymethyl)-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-(1,2-oxazol-3-yloxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-fluoro-4-[5-(1,2-oxazol-3-yloxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc(C3=NOC(COc4ccon4)C3)cc2F)CC1.
What is the InChIKey of 1-[4-[2-fluoro-4-[5-(1,2-oxazol-3-yloxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]ethanone?
The InChIKey is NGCUOSSAEMEDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O4/c1-13(25)23-5-7-24(8-6-23)18-3-2-14(10-16(18)20)17-11-15(28-21-17)12-26-19-4-9-27-22-19/h2-4,9-10,15H,5-8,11-12H2,1H3.
What are the key properties of 1-[4-[2-fluoro-4-[5-(1,2-oxazol-3-yloxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]ethanone?
1-[4-[2-fluoro-4-[5-(1,2-oxazol-3-yloxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]ethanone has a molecular weight of 388.40 g/mol, XLogP of 2.05, 5 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-(1,2-oxazol-3-yloxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 22022988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).