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

C13H16BrN3O2 — CID 94015010

IUPAC2-(5-bromofuran-2-yl)-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESC[C@@H]1CCCCN1Cc1nnc(-c2ccc(Br)o2)o1
InChIInChI=1S/C13H16BrN3O2/c1-9-4-2-3-7-17(9)8-12-15-16-13(19-12)10-5-6-11(14)18-10/h5-6,9H,2-4,7-8H2,1H3/t9-/m1/s1
InChIKeyIQGAAOCIIZDHGP-SECBINFHSA-N
MW326.19 g/mol
LogP3.47
Rot. Bonds3

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

2-(5-bromofuran-2-yl)-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 94015010) has the molecular formula C13H16BrN3O2 and a molecular weight of 326.19 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID94015010
Molecular FormulaC13H16BrN3O2
Molecular Weight326.19 g/mol
Exact Mass325.04
IUPAC Name2-(5-bromofuran-2-yl)-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESC[C@@H]1CCCCN1Cc1nnc(-c2ccc(Br)o2)o1
InChIInChI=1S/C13H16BrN3O2/c1-9-4-2-3-7-17(9)8-12-15-16-13(19-12)10-5-6-11(14)18-10/h5-6,9H,2-4,7-8H2,1H3/t9-/m1/s1
InChIKeyIQGAAOCIIZDHGP-SECBINFHSA-N
XLogP3.47
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(5-bromofuran-2-yl)-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-(5-bromofuran-2-yl)-5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 104975633
1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 43441609
1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-cyclopentylimidazolidine-2,4,5-trione
CID 112769685
[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpiperidin-3-yl]methanamine
CID 114961309
[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol
CID 60670196
[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 112826249
2-(1,5-dimethylpyrrol-2-yl)-5-[[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95730107
2-(5-bromofuran-2-yl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole
CID 23624273
2-[(2-methylpiperidin-1-yl)methyl]-5-phenyl-1,3-oxazole
CID 75790350
(3R)-4-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylmorpholine
CID 34553713
4-N-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-N-methylcyclohexane-1,4-diamine
CID 79114919
1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpiperidin-4-amine
CID 115313163

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(5-bromofuran-2-yl)-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole (CID 94015010) is 2-(5-bromofuran-2-yl)-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-bromofuran-2-yl)-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole is C[C@@H]1CCCCN1Cc1nnc(-c2ccc(Br)o2)o1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is IQGAAOCIIZDHGP-SECBINFHSA-N. The full InChI is InChI=1S/C13H16BrN3O2/c1-9-4-2-3-7-17(9)8-12-15-16-13(19-12)10-5-6-11(14)18-10/h5-6,9H,2-4,7-8H2,1H3/t9-/m1/s1.
What are the key properties of 2-(5-bromofuran-2-yl)-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole?
2-(5-bromofuran-2-yl)-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 326.19 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 94015010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).