1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylpiperidin-3-amine

C15H19BrN4O — CID 79993305

IUPAC1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylpiperidin-3-amine
SMILESCC1CC(N)CN(Cc2nnc(-c3ccc(Br)cc3)o2)C1
InChIInChI=1S/C15H19BrN4O/c1-10-6-13(17)8-20(7-10)9-14-18-19-15(21-14)11-2-4-12(16)5-3-11/h2-5,10,13H,6-9,17H2,1H3
InChIKeyMHCXHKPSXAXNDT-UHFFFAOYSA-N
MW351.25 g/mol
LogP2.67
Rot. Bonds3

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

1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylpiperidin-3-amine (PubChem CID 79993305) has the molecular formula C15H19BrN4O and a molecular weight of 351.25 g/mol. Its IUPAC name is 1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylpiperidin-3-amine
PubChem CID79993305
Molecular FormulaC15H19BrN4O
Molecular Weight351.25 g/mol
Exact Mass350.07
IUPAC Name1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylpiperidin-3-amine
SMILESCC1CC(N)CN(Cc2nnc(-c3ccc(Br)cc3)o2)C1
InChIInChI=1S/C15H19BrN4O/c1-10-6-13(17)8-20(7-10)9-14-18-19-15(21-14)11-2-4-12(16)5-3-11/h2-5,10,13H,6-9,17H2,1H3
InChIKeyMHCXHKPSXAXNDT-UHFFFAOYSA-N
XLogP2.67
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylpiperidin-3-amine?
The IUPAC name of 1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylpiperidin-3-amine (CID 79993305) is 1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylpiperidin-3-amine.
What is the SMILES notation for 1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylpiperidin-3-amine?
The canonical SMILES for 1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylpiperidin-3-amine is CC1CC(N)CN(Cc2nnc(-c3ccc(Br)cc3)o2)C1.
What is the InChIKey of 1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylpiperidin-3-amine?
The InChIKey is MHCXHKPSXAXNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O/c1-10-6-13(17)8-20(7-10)9-14-18-19-15(21-14)11-2-4-12(16)5-3-11/h2-5,10,13H,6-9,17H2,1H3.
What are the key properties of 1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylpiperidin-3-amine?
1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylpiperidin-3-amine has a molecular weight of 351.25 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylpiperidin-3-amine is sourced from PubChem (CID 79993305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).