3-[[4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]methyl]-1,2,5-oxadiazole

C14H17FN4O2 — CID 146135879

IUPAC3-[[4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]methyl]-1,2,5-oxadiazole
SMILESCOc1cc(N2CCN(Cc3cnon3)CC2)ccc1F
InChIInChI=1S/C14H17FN4O2/c1-20-14-8-12(2-3-13(14)15)19-6-4-18(5-7-19)10-11-9-16-21-17-11/h2-3,8-9H,4-7,10H2,1H3
InChIKeyYFYUDLUQRQAKSF-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.54
Rot. Bonds4

About 3-[[4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]methyl]-1,2,5-oxadiazole

3-[[4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]methyl]-1,2,5-oxadiazole (PubChem CID 146135879) has the molecular formula C14H17FN4O2 and a molecular weight of 292.31 g/mol. Its IUPAC name is 3-[[4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]methyl]-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-[[4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]methyl]-1,2,5-oxadiazole
PubChem CID146135879
Molecular FormulaC14H17FN4O2
Molecular Weight292.31 g/mol
Exact Mass292.13
IUPAC Name3-[[4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]methyl]-1,2,5-oxadiazole
SMILESCOc1cc(N2CCN(Cc3cnon3)CC2)ccc1F
InChIInChI=1S/C14H17FN4O2/c1-20-14-8-12(2-3-13(14)15)19-6-4-18(5-7-19)10-11-9-16-21-17-11/h2-3,8-9H,4-7,10H2,1H3
InChIKeyYFYUDLUQRQAKSF-UHFFFAOYSA-N
XLogP1.54
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluoro-3-methoxyphenyl)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperazine
CID 122131802
3-(2,2-difluoroethyl)-7-[4-(1,2,5-oxadiazol-3-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126898110
5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 171994632
[4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone
CID 146122341
4-[(4-fluoro-3-methoxyphenyl)methyl]morpholine
CID 71190630
1-[(5-chloro-2-pyridinyl)methyl]-4-(3-ethoxy-4-nitrophenyl)piperazine
CID 133465587
1-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 6456141
4-[4-(2-fluoroethyl)piperazin-1-yl]-2-methoxyaniline
CID 88571838
1-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine
CID 750588
6-methoxy-N-[1-(1,2,5-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126888157
4-(chloromethyl)-1-(4-fluoro-3-methoxyphenyl)triazole
CID 114840799
5-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 133348216

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]methyl]-1,2,5-oxadiazole?
The IUPAC name of 3-[[4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]methyl]-1,2,5-oxadiazole (CID 146135879) is 3-[[4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]methyl]-1,2,5-oxadiazole.
What is the SMILES notation for 3-[[4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]methyl]-1,2,5-oxadiazole?
The canonical SMILES for 3-[[4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]methyl]-1,2,5-oxadiazole is COc1cc(N2CCN(Cc3cnon3)CC2)ccc1F.
What is the InChIKey of 3-[[4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]methyl]-1,2,5-oxadiazole?
The InChIKey is YFYUDLUQRQAKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2/c1-20-14-8-12(2-3-13(14)15)19-6-4-18(5-7-19)10-11-9-16-21-17-11/h2-3,8-9H,4-7,10H2,1H3.
What are the key properties of 3-[[4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]methyl]-1,2,5-oxadiazole?
3-[[4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]methyl]-1,2,5-oxadiazole has a molecular weight of 292.31 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-fluoro-3-methoxyphenyl)piperazin-1-yl]methyl]-1,2,5-oxadiazole is sourced from PubChem (CID 146135879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).