[4-(2-fluoroethyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone

C14H16FN3O2S — CID 121021925

IUPAC[4-(2-fluoroethyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2cccs2)on1)N1CCN(CCF)CC1
InChIInChI=1S/C14H16FN3O2S/c15-3-4-17-5-7-18(8-6-17)14(19)11-10-12(20-16-11)13-2-1-9-21-13/h1-2,9-10H,3-8H2
InChIKeyJNGRIGCGOMOQGC-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.13
Rot. Bonds4

About [4-(2-fluoroethyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone

[4-(2-fluoroethyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone (PubChem CID 121021925) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is [4-(2-fluoroethyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-fluoroethyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
PubChem CID121021925
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC Name[4-(2-fluoroethyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2cccs2)on1)N1CCN(CCF)CC1
InChIInChI=1S/C14H16FN3O2S/c15-3-4-17-5-7-18(8-6-17)14(19)11-10-12(20-16-11)13-2-1-9-21-13/h1-2,9-10H,3-8H2
InChIKeyJNGRIGCGOMOQGC-UHFFFAOYSA-N
XLogP2.13
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluoroethyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [4-(2-fluoroethyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone (CID 121021925) is [4-(2-fluoroethyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [4-(2-fluoroethyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [4-(2-fluoroethyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone is O=C(c1cc(-c2cccs2)on1)N1CCN(CCF)CC1.
What is the InChIKey of [4-(2-fluoroethyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is JNGRIGCGOMOQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c15-3-4-17-5-7-18(8-6-17)14(19)11-10-12(20-16-11)13-2-1-9-21-13/h1-2,9-10H,3-8H2.
What are the key properties of [4-(2-fluoroethyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
[4-(2-fluoroethyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 309.37 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluoroethyl)piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 121021925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).