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

C13H16BrN3O3 — CID 120842233

IUPAC3-(5-bromofuran-2-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole
SMILESCOCC1(c2nc(-c3ccc(Br)o3)no2)CCNCC1
InChIInChI=1S/C13H16BrN3O3/c1-18-8-13(4-6-15-7-5-13)12-16-11(17-20-12)9-2-3-10(14)19-9/h2-3,15H,4-8H2,1H3
InChIKeyRCZIKMUMAYZKBI-UHFFFAOYSA-N
MW342.19 g/mol
LogP2.36
Rot. Bonds4

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

3-(5-bromofuran-2-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole (PubChem CID 120842233) has the molecular formula C13H16BrN3O3 and a molecular weight of 342.19 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole
PubChem CID120842233
Molecular FormulaC13H16BrN3O3
Molecular Weight342.19 g/mol
Exact Mass341.04
IUPAC Name3-(5-bromofuran-2-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole
SMILESCOCC1(c2nc(-c3ccc(Br)o3)no2)CCNCC1
InChIInChI=1S/C13H16BrN3O3/c1-18-8-13(4-6-15-7-5-13)12-16-11(17-20-12)9-2-3-10(14)19-9/h2-3,15H,4-8H2,1H3
InChIKeyRCZIKMUMAYZKBI-UHFFFAOYSA-N
XLogP2.36
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(methoxymethyl)piperidin-4-yl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 120836273
3-(3-chlorophenyl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
CID 120835900
5-[4-(methoxymethyl)piperidin-4-yl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
CID 120841643
5-[4-(methoxymethyl)piperidin-4-yl]-3-(3-phenoxyphenyl)-1,2,4-oxadiazole
CID 120834711
3-(cyclopropylmethyl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole
CID 120841526
3-(2,3-dihydro-1-benzofuran-5-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
CID 120892284
5-[1-(methoxymethyl)cyclopropyl]-3-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole
CID 139012823
5-[4-(methoxymethyl)piperidin-4-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 120836392
5-[4-(methoxymethyl)piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole;hydrochloride
CID 120838673
3-[(4-fluorophenoxy)methyl]-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole
CID 120842825
4-[[3-[5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
CID 120840405
3-[(4-fluorophenoxy)methyl]-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
CID 120842824

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromofuran-2-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(5-bromofuran-2-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole (CID 120842233) is 3-(5-bromofuran-2-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-bromofuran-2-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole is COCC1(c2nc(-c3ccc(Br)o3)no2)CCNCC1.
What is the InChIKey of 3-(5-bromofuran-2-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole?
The InChIKey is RCZIKMUMAYZKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O3/c1-18-8-13(4-6-15-7-5-13)12-16-11(17-20-12)9-2-3-10(14)19-9/h2-3,15H,4-8H2,1H3.
What are the key properties of 3-(5-bromofuran-2-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole?
3-(5-bromofuran-2-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole has a molecular weight of 342.19 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromofuran-2-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 120842233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).