5-[1-(3,5-difluorophenoxy)-2-methoxyethyl]-3-piperazin-1-yl-1,2,4-oxadiazole

C15H18F2N4O3 — CID 167948403

IUPAC5-[1-(3,5-difluorophenoxy)-2-methoxyethyl]-3-piperazin-1-yl-1,2,4-oxadiazole
SMILESCOCC(Oc1cc(F)cc(F)c1)c1nc(N2CCNCC2)no1
InChIInChI=1S/C15H18F2N4O3/c1-22-9-13(23-12-7-10(16)6-11(17)8-12)14-19-15(20-24-14)21-4-2-18-3-5-21/h6-8,13,18H,2-5,9H2,1H3
InChIKeyMLTWBGWFBSXOSP-UHFFFAOYSA-N
MW340.33 g/mol
LogP1.52
Rot. Bonds6

About 5-[1-(3,5-difluorophenoxy)-2-methoxyethyl]-3-piperazin-1-yl-1,2,4-oxadiazole

5-[1-(3,5-difluorophenoxy)-2-methoxyethyl]-3-piperazin-1-yl-1,2,4-oxadiazole (PubChem CID 167948403) has the molecular formula C15H18F2N4O3 and a molecular weight of 340.33 g/mol. Its IUPAC name is 5-[1-(3,5-difluorophenoxy)-2-methoxyethyl]-3-piperazin-1-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(3,5-difluorophenoxy)-2-methoxyethyl]-3-piperazin-1-yl-1,2,4-oxadiazole
PubChem CID167948403
Molecular FormulaC15H18F2N4O3
Molecular Weight340.33 g/mol
Exact Mass340.13
IUPAC Name5-[1-(3,5-difluorophenoxy)-2-methoxyethyl]-3-piperazin-1-yl-1,2,4-oxadiazole
SMILESCOCC(Oc1cc(F)cc(F)c1)c1nc(N2CCNCC2)no1
InChIInChI=1S/C15H18F2N4O3/c1-22-9-13(23-12-7-10(16)6-11(17)8-12)14-19-15(20-24-14)21-4-2-18-3-5-21/h6-8,13,18H,2-5,9H2,1H3
InChIKeyMLTWBGWFBSXOSP-UHFFFAOYSA-N
XLogP1.52
TPSA72.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[1-(3,5-difluorophenoxy)-2-methoxyethyl]-3-piperazin-1-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 116807974
2-methoxy-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109397
4-[1-(3,5-difluorophenoxy)ethyl]piperidine
CID 117051139
5-[(4-chloro-3-methoxyphenyl)methyl]-3-piperazin-1-yl-1,2,4-oxadiazole
CID 167848035
5-(2-tert-butyl-4-methylfuran-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole
CID 167979387
1-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine
CID 155272560
5-[(4-fluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine
CID 157163231
1-[(1S)-1-(3,5-difluorophenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171181888
4-(methoxymethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one
CID 135629231
5-[(4-fluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine;hydrochloride
CID 172813583
1-[1-(1-methoxypropan-2-yl)imidazol-2-yl]piperazine
CID 106552012
3-(3-fluorophenyl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 62311650

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,5-difluorophenoxy)-2-methoxyethyl]-3-piperazin-1-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(3,5-difluorophenoxy)-2-methoxyethyl]-3-piperazin-1-yl-1,2,4-oxadiazole (CID 167948403) is 5-[1-(3,5-difluorophenoxy)-2-methoxyethyl]-3-piperazin-1-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(3,5-difluorophenoxy)-2-methoxyethyl]-3-piperazin-1-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(3,5-difluorophenoxy)-2-methoxyethyl]-3-piperazin-1-yl-1,2,4-oxadiazole is COCC(Oc1cc(F)cc(F)c1)c1nc(N2CCNCC2)no1.
What is the InChIKey of 5-[1-(3,5-difluorophenoxy)-2-methoxyethyl]-3-piperazin-1-yl-1,2,4-oxadiazole?
The InChIKey is MLTWBGWFBSXOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4O3/c1-22-9-13(23-12-7-10(16)6-11(17)8-12)14-19-15(20-24-14)21-4-2-18-3-5-21/h6-8,13,18H,2-5,9H2,1H3.
What are the key properties of 5-[1-(3,5-difluorophenoxy)-2-methoxyethyl]-3-piperazin-1-yl-1,2,4-oxadiazole?
5-[1-(3,5-difluorophenoxy)-2-methoxyethyl]-3-piperazin-1-yl-1,2,4-oxadiazole has a molecular weight of 340.33 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,5-difluorophenoxy)-2-methoxyethyl]-3-piperazin-1-yl-1,2,4-oxadiazole is sourced from PubChem (CID 167948403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).