1-[[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one

C14H15FN4O3 — CID 120893671

IUPAC1-[[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one
SMILESO=C1CNCCN1Cc1nc(COc2cccc(F)c2)no1
InChIInChI=1S/C14H15FN4O3/c15-10-2-1-3-11(6-10)21-9-12-17-13(22-18-12)8-19-5-4-16-7-14(19)20/h1-3,6,16H,4-5,7-9H2
InChIKeyISAUMPJEKYCSQF-UHFFFAOYSA-N
MW306.30 g/mol
LogP0.72
Rot. Bonds5

About 1-[[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one

1-[[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one (PubChem CID 120893671) has the molecular formula C14H15FN4O3 and a molecular weight of 306.30 g/mol. Its IUPAC name is 1-[[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name1-[[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one
PubChem CID120893671
Molecular FormulaC14H15FN4O3
Molecular Weight306.30 g/mol
Exact Mass306.11
IUPAC Name1-[[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one
SMILESO=C1CNCCN1Cc1nc(COc2cccc(F)c2)no1
InChIInChI=1S/C14H15FN4O3/c15-10-2-1-3-11(6-10)21-9-12-17-13(22-18-12)8-19-5-4-16-7-14(19)20/h1-3,6,16H,4-5,7-9H2
InChIKeyISAUMPJEKYCSQF-UHFFFAOYSA-N
XLogP0.72
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 120893665
1-cyclopropyl-N-[[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 120893699
5-[(3-fluorophenoxy)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959053
5-(azepan-1-ylmethyl)-3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 86916726
5-[(2R)-azetidin-2-yl]-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride
CID 120893749
N-[[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
CID 120893632
1-[3-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,3-diazinan-2-one
CID 126790123
5-cyclopropyl-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 63861878
3-[(3-fluorophenoxy)methyl]-5-[3-(2-methoxyethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120893709
(2S)-2-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120893635
1-[2-(3-methylphenoxy)ethyl]piperazin-2-one
CID 64564764
2-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-prop-2-ynylacetamide
CID 100644076

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one?
The IUPAC name of 1-[[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one (CID 120893671) is 1-[[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one.
What is the SMILES notation for 1-[[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one?
The canonical SMILES for 1-[[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one is O=C1CNCCN1Cc1nc(COc2cccc(F)c2)no1.
What is the InChIKey of 1-[[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one?
The InChIKey is ISAUMPJEKYCSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O3/c15-10-2-1-3-11(6-10)21-9-12-17-13(22-18-12)8-19-5-4-16-7-14(19)20/h1-3,6,16H,4-5,7-9H2.
What are the key properties of 1-[[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one?
1-[[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one has a molecular weight of 306.30 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one is sourced from PubChem (CID 120893671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).