N-[(3,5-dibromo-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine

C10H10Br2N4O — CID 114183499

IUPACN-[(3,5-dibromo-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
SMILESBrc1cnc(CNCCc2ncon2)c(Br)c1
InChIInChI=1S/C10H10Br2N4O/c11-7-3-8(12)9(14-4-7)5-13-2-1-10-15-6-17-16-10/h3-4,6,13H,1-2,5H2
InChIKeyHTJPWCJFXDLONQ-UHFFFAOYSA-N
MW362.03 g/mol
LogP2.32
Rot. Bonds5

About N-[(3,5-dibromo-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine

N-[(3,5-dibromo-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine (PubChem CID 114183499) has the molecular formula C10H10Br2N4O and a molecular weight of 362.03 g/mol. Its IUPAC name is N-[(3,5-dibromo-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(3,5-dibromo-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
PubChem CID114183499
Molecular FormulaC10H10Br2N4O
Molecular Weight362.03 g/mol
Exact Mass359.92
IUPAC NameN-[(3,5-dibromo-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
SMILESBrc1cnc(CNCCc2ncon2)c(Br)c1
InChIInChI=1S/C10H10Br2N4O/c11-7-3-8(12)9(14-4-7)5-13-2-1-10-15-6-17-16-10/h3-4,6,13H,1-2,5H2
InChIKeyHTJPWCJFXDLONQ-UHFFFAOYSA-N
XLogP2.32
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.03
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106395888
5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106404166
2-(1,2,4-oxadiazol-3-yl)-N-(pyrimidin-5-ylmethyl)ethanamine
CID 106395418
N-[(3,5-dibromo-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine
CID 113393694
6-[(3,5-dibromo-2-pyridinyl)methylamino]hexan-1-ol
CID 104573881
N-benzyl-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396500
3-bromo-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,5-diamine
CID 106394058
5-bromo-3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine
CID 106403591
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396072
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106395589
5-bromo-2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-3-sulfonamide
CID 106408019
1-(2,4-dibromophenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 114183393

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The IUPAC name of N-[(3,5-dibromo-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine (CID 114183499) is N-[(3,5-dibromo-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine.
What is the SMILES notation for N-[(3,5-dibromo-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The canonical SMILES for N-[(3,5-dibromo-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine is Brc1cnc(CNCCc2ncon2)c(Br)c1.
What is the InChIKey of N-[(3,5-dibromo-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The InChIKey is HTJPWCJFXDLONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2N4O/c11-7-3-8(12)9(14-4-7)5-13-2-1-10-15-6-17-16-10/h3-4,6,13H,1-2,5H2.
What are the key properties of N-[(3,5-dibromo-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
N-[(3,5-dibromo-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine has a molecular weight of 362.03 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine is sourced from PubChem (CID 114183499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).