(4-ethylpiperazin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone

C16H20FN3O2 — CID 5308889

IUPAC(4-ethylpiperazin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
SMILESCCN1CCN(C(=O)C2CC(c3ccc(F)cc3)=NO2)CC1
InChIInChI=1S/C16H20FN3O2/c1-2-19-7-9-20(10-8-19)16(21)15-11-14(18-22-15)12-3-5-13(17)6-4-12/h3-6,15H,2,7-11H2,1H3
InChIKeyISWTYVGISCDVHF-UHFFFAOYSA-N
MW305.35 g/mol
LogP1.48
Rot. Bonds3

About (4-ethylpiperazin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone

(4-ethylpiperazin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone (PubChem CID 5308889) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
PubChem CID5308889
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name(4-ethylpiperazin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
SMILESCCN1CCN(C(=O)C2CC(c3ccc(F)cc3)=NO2)CC1
InChIInChI=1S/C16H20FN3O2/c1-2-19-7-9-20(10-8-19)16(21)15-11-14(18-22-15)12-3-5-13(17)6-4-12/h3-6,15H,2,7-11H2,1H3
InChIKeyISWTYVGISCDVHF-UHFFFAOYSA-N
XLogP1.48
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone (CID 5308889) is (4-ethylpiperazin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone is CCN1CCN(C(=O)C2CC(c3ccc(F)cc3)=NO2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The InChIKey is ISWTYVGISCDVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-2-19-7-9-20(10-8-19)16(21)15-11-14(18-22-15)12-3-5-13(17)6-4-12/h3-6,15H,2,7-11H2,1H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
(4-ethylpiperazin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone has a molecular weight of 305.35 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 5308889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).