1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-4-carboxylic acid

C13H14BrN3O4 — CID 43441609

IUPAC1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2nnc(-c3ccc(Br)o3)o2)CC1
InChIInChI=1S/C13H14BrN3O4/c14-10-2-1-9(20-10)12-16-15-11(21-12)7-17-5-3-8(4-6-17)13(18)19/h1-2,8H,3-7H2,(H,18,19)
InChIKeyYGILXFBBIRRTMI-UHFFFAOYSA-N
MW356.18 g/mol
LogP2.39
Rot. Bonds4

About 1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-4-carboxylic acid

1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-4-carboxylic acid (PubChem CID 43441609) has the molecular formula C13H14BrN3O4 and a molecular weight of 356.18 g/mol. Its IUPAC name is 1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-4-carboxylic acid
PubChem CID43441609
Molecular FormulaC13H14BrN3O4
Molecular Weight356.18 g/mol
Exact Mass355.02
IUPAC Name1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2nnc(-c3ccc(Br)o3)o2)CC1
InChIInChI=1S/C13H14BrN3O4/c14-10-2-1-9(20-10)12-16-15-11(21-12)7-17-5-3-8(4-6-17)13(18)19/h1-2,8H,3-7H2,(H,18,19)
InChIKeyYGILXFBBIRRTMI-UHFFFAOYSA-N
XLogP2.39
TPSA92.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.18
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-4-carboxylic acid with MolForge

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Related Compounds

[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 112826249
2-[4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 18209846
[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
2-(5-bromofuran-2-yl)-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 94015010
2-(5-bromofuran-2-yl)-5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 104975633
4-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54929249
1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 119907746
1-[(4,5-dibromofuran-2-yl)methyl]piperidine-4-carboxylic acid
CID 65056412
1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-cyclopentylimidazolidine-2,4,5-trione
CID 112769685
1-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 119907505
2-[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentyl]acetic acid
CID 61071152

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-4-carboxylic acid (CID 43441609) is 1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(Cc2nnc(-c3ccc(Br)o3)o2)CC1.
What is the InChIKey of 1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-4-carboxylic acid?
The InChIKey is YGILXFBBIRRTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O4/c14-10-2-1-9(20-10)12-16-15-11(21-12)7-17-5-3-8(4-6-17)13(18)19/h1-2,8H,3-7H2,(H,18,19).
What are the key properties of 1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-4-carboxylic acid?
1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-4-carboxylic acid has a molecular weight of 356.18 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 43441609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).