[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpiperidin-3-yl]methanamine

C14H19BrN4O2 — CID 114961309

IUPAC[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpiperidin-3-yl]methanamine
SMILESCC1CCN(Cc2nnc(-c3ccc(Br)o3)o2)CC1CN
InChIInChI=1S/C14H19BrN4O2/c1-9-4-5-19(7-10(9)6-16)8-13-17-18-14(21-13)11-2-3-12(15)20-11/h2-3,9-10H,4-8,16H2,1H3
InChIKeyWSMZLPNUIQIHKM-UHFFFAOYSA-N
MW355.24 g/mol
LogP2.51
Rot. Bonds4

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

[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpiperidin-3-yl]methanamine (PubChem CID 114961309) has the molecular formula C14H19BrN4O2 and a molecular weight of 355.24 g/mol. Its IUPAC name is [1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpiperidin-3-yl]methanamine
PubChem CID114961309
Molecular FormulaC14H19BrN4O2
Molecular Weight355.24 g/mol
Exact Mass354.07
IUPAC Name[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpiperidin-3-yl]methanamine
SMILESCC1CCN(Cc2nnc(-c3ccc(Br)o3)o2)CC1CN
InChIInChI=1S/C14H19BrN4O2/c1-9-4-5-19(7-10(9)6-16)8-13-17-18-14(21-13)11-2-3-12(15)20-11/h2-3,9-10H,4-8,16H2,1H3
InChIKeyWSMZLPNUIQIHKM-UHFFFAOYSA-N
XLogP2.51
TPSA81.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpiperidin-3-yl]methanamine 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]piperidin-3-yl]methanol
CID 60670196
2-(5-bromofuran-2-yl)-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 94015010
[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114961231
[4-methyl-1-(1,2-oxazol-5-ylmethyl)piperidin-3-yl]methanamine
CID 114960967
[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 112826249
4-methyl-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-ol
CID 103898404
4-methyl-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
CID 103898076
[4-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]methanamine
CID 114961443
[1-[(4-ethylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114960117
[4-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine
CID 114959813

Frequently Asked Questions

What is the IUPAC name of [1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpiperidin-3-yl]methanamine?
The IUPAC name of [1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpiperidin-3-yl]methanamine (CID 114961309) is [1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpiperidin-3-yl]methanamine is CC1CCN(Cc2nnc(-c3ccc(Br)o3)o2)CC1CN.
What is the InChIKey of [1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpiperidin-3-yl]methanamine?
The InChIKey is WSMZLPNUIQIHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O2/c1-9-4-5-19(7-10(9)6-16)8-13-17-18-14(21-13)11-2-3-12(15)20-11/h2-3,9-10H,4-8,16H2,1H3.
What are the key properties of [1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpiperidin-3-yl]methanamine?
[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpiperidin-3-yl]methanamine has a molecular weight of 355.24 g/mol, XLogP of 2.51, 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]-4-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 114961309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).