[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone

C14H14FN5O3 — CID 20895388

IUPAC[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone
SMILESNc1nonc1C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C14H14FN5O3/c15-10-3-1-2-9(8-10)13(21)19-4-6-20(7-5-19)14(22)11-12(16)18-23-17-11/h1-3,8H,4-7H2,(H2,16,18)
InChIKeyUAEZHRFBPAODMR-UHFFFAOYSA-N
MW319.30 g/mol
LogP0.39
Rot. Bonds2

About [4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone

[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone (PubChem CID 20895388) has the molecular formula C14H14FN5O3 and a molecular weight of 319.30 g/mol. Its IUPAC name is [4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone
PubChem CID20895388
Molecular FormulaC14H14FN5O3
Molecular Weight319.30 g/mol
Exact Mass319.11
IUPAC Name[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone
SMILESNc1nonc1C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C14H14FN5O3/c15-10-3-1-2-9(8-10)13(21)19-4-6-20(7-5-19)14(22)11-12(16)18-23-17-11/h1-3,8H,4-7H2,(H2,16,18)
InChIKeyUAEZHRFBPAODMR-UHFFFAOYSA-N
XLogP0.39
TPSA105.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.30
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone (CID 20895388) is [4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone is Nc1nonc1C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of [4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone?
The InChIKey is UAEZHRFBPAODMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5O3/c15-10-3-1-2-9(8-10)13(21)19-4-6-20(7-5-19)14(22)11-12(16)18-23-17-11/h1-3,8H,4-7H2,(H2,16,18).
What are the key properties of [4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone?
[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone has a molecular weight of 319.30 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 20895388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).