5-[4-(methoxymethyl)piperidin-4-yl]-3-(3-phenoxyphenyl)-1,2,4-oxadiazole

C21H23N3O3 — CID 120834711

IUPAC5-[4-(methoxymethyl)piperidin-4-yl]-3-(3-phenoxyphenyl)-1,2,4-oxadiazole
SMILESCOCC1(c2nc(-c3cccc(Oc4ccccc4)c3)no2)CCNCC1
InChIInChI=1S/C21H23N3O3/c1-25-15-21(10-12-22-13-11-21)20-23-19(24-27-20)16-6-5-9-18(14-16)26-17-7-3-2-4-8-17/h2-9,14,22H,10-13,15H2,1H3
InChIKeyGNRGYFOUCNUKBU-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.80
Rot. Bonds6

About 5-[4-(methoxymethyl)piperidin-4-yl]-3-(3-phenoxyphenyl)-1,2,4-oxadiazole

5-[4-(methoxymethyl)piperidin-4-yl]-3-(3-phenoxyphenyl)-1,2,4-oxadiazole (PubChem CID 120834711) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 5-[4-(methoxymethyl)piperidin-4-yl]-3-(3-phenoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-(methoxymethyl)piperidin-4-yl]-3-(3-phenoxyphenyl)-1,2,4-oxadiazole
PubChem CID120834711
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name5-[4-(methoxymethyl)piperidin-4-yl]-3-(3-phenoxyphenyl)-1,2,4-oxadiazole
SMILESCOCC1(c2nc(-c3cccc(Oc4ccccc4)c3)no2)CCNCC1
InChIInChI=1S/C21H23N3O3/c1-25-15-21(10-12-22-13-11-21)20-23-19(24-27-20)16-6-5-9-18(14-16)26-17-7-3-2-4-8-17/h2-9,14,22H,10-13,15H2,1H3
InChIKeyGNRGYFOUCNUKBU-UHFFFAOYSA-N
XLogP3.80
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-chlorophenyl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
CID 120835900
4-[[3-[5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
CID 120840405
5-[4-(methoxymethyl)piperidin-4-yl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 120836273
5-[4-(methoxymethyl)piperidin-4-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 120836392
4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol
CID 106950095
3-(2,3-dihydro-1-benzofuran-5-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
CID 120892284
5-[4-(methoxymethyl)piperidin-4-yl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
CID 120841643
3-(5-bromofuran-2-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole
CID 120842233
3-phenyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63144177
[4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 115440111
5-(4-ethylpiperidin-4-yl)-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
CID 63125992
3-[(2-chlorophenyl)methyl]-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole
CID 120834343

Frequently Asked Questions

What is the IUPAC name of 5-[4-(methoxymethyl)piperidin-4-yl]-3-(3-phenoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[4-(methoxymethyl)piperidin-4-yl]-3-(3-phenoxyphenyl)-1,2,4-oxadiazole (CID 120834711) is 5-[4-(methoxymethyl)piperidin-4-yl]-3-(3-phenoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-(methoxymethyl)piperidin-4-yl]-3-(3-phenoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-(methoxymethyl)piperidin-4-yl]-3-(3-phenoxyphenyl)-1,2,4-oxadiazole is COCC1(c2nc(-c3cccc(Oc4ccccc4)c3)no2)CCNCC1.
What is the InChIKey of 5-[4-(methoxymethyl)piperidin-4-yl]-3-(3-phenoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is GNRGYFOUCNUKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-25-15-21(10-12-22-13-11-21)20-23-19(24-27-20)16-6-5-9-18(14-16)26-17-7-3-2-4-8-17/h2-9,14,22H,10-13,15H2,1H3.
What are the key properties of 5-[4-(methoxymethyl)piperidin-4-yl]-3-(3-phenoxyphenyl)-1,2,4-oxadiazole?
5-[4-(methoxymethyl)piperidin-4-yl]-3-(3-phenoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 365.43 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(methoxymethyl)piperidin-4-yl]-3-(3-phenoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 120834711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).