2-(5-bromofuran-2-yl)-5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole

C12H15BrN4O2 — CID 104975633

IUPAC2-(5-bromofuran-2-yl)-5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESC[C@@H]1CN(Cc2nnc(-c3ccc(Br)o3)o2)CCN1
InChIInChI=1S/C12H15BrN4O2/c1-8-6-17(5-4-14-8)7-11-15-16-12(19-11)9-2-3-10(13)18-9/h2-3,8,14H,4-7H2,1H3/t8-/m1/s1
InChIKeyORUPGTVBRGFUKH-MRVPVSSYSA-N
MW327.18 g/mol
LogP1.89
Rot. Bonds3

About 2-(5-bromofuran-2-yl)-5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole

2-(5-bromofuran-2-yl)-5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 104975633) has the molecular formula C12H15BrN4O2 and a molecular weight of 327.18 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID104975633
Molecular FormulaC12H15BrN4O2
Molecular Weight327.18 g/mol
Exact Mass326.04
IUPAC Name2-(5-bromofuran-2-yl)-5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESC[C@@H]1CN(Cc2nnc(-c3ccc(Br)o3)o2)CCN1
InChIInChI=1S/C12H15BrN4O2/c1-8-6-17(5-4-14-8)7-11-15-16-12(19-11)9-2-3-10(13)18-9/h2-3,8,14H,4-7H2,1H3/t8-/m1/s1
InChIKeyORUPGTVBRGFUKH-MRVPVSSYSA-N
XLogP1.89
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(5-bromofuran-2-yl)-5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole (CID 104975633) is 2-(5-bromofuran-2-yl)-5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-bromofuran-2-yl)-5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole is C[C@@H]1CN(Cc2nnc(-c3ccc(Br)o3)o2)CCN1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is ORUPGTVBRGFUKH-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15BrN4O2/c1-8-6-17(5-4-14-8)7-11-15-16-12(19-11)9-2-3-10(13)18-9/h2-3,8,14H,4-7H2,1H3/t8-/m1/s1.
What are the key properties of 2-(5-bromofuran-2-yl)-5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole?
2-(5-bromofuran-2-yl)-5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 327.18 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 104975633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).