1-[5-(5-bromo-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine

C13H14BrN5O — CID 120865238

IUPAC1-[5-(5-bromo-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1noc(-c2n[nH]c3ccc(Br)cc23)n1
InChIInChI=1S/C13H14BrN5O/c1-7(15-2)5-11-16-13(20-19-11)12-9-6-8(14)3-4-10(9)17-18-12/h3-4,6-7,15H,5H2,1-2H3,(H,17,18)
InChIKeyFRCJMRSVKMBAEF-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.53
Rot. Bonds4

About 1-[5-(5-bromo-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine

1-[5-(5-bromo-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (PubChem CID 120865238) has the molecular formula C13H14BrN5O and a molecular weight of 336.19 g/mol. Its IUPAC name is 1-[5-(5-bromo-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[5-(5-bromo-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
PubChem CID120865238
Molecular FormulaC13H14BrN5O
Molecular Weight336.19 g/mol
Exact Mass335.04
IUPAC Name1-[5-(5-bromo-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1noc(-c2n[nH]c3ccc(Br)cc23)n1
InChIInChI=1S/C13H14BrN5O/c1-7(15-2)5-11-16-13(20-19-11)12-9-6-8(14)3-4-10(9)17-18-12/h3-4,6-7,15H,5H2,1-2H3,(H,17,18)
InChIKeyFRCJMRSVKMBAEF-UHFFFAOYSA-N
XLogP2.53
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866083
1-[5-(1H-indazol-5-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 167764183
5-bromo-N-[2-(methylamino)propyl]-1H-indazole-3-carboxamide
CID 120831007
1-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120868063
1-[5-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866337
1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 115079254
6-fluoro-4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one
CID 120868902
1-[5-[4-bromo-1-(4-fluorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867125
1-[5-[2-(5-bromo-1,3-benzothiazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120865346
1-[5-[1-(4-bromophenyl)-5-methylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867390
1-[5-[(4-bromo-2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867262
1-[5-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866776

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-bromo-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[5-(5-bromo-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (CID 120865238) is 1-[5-(5-bromo-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[5-(5-bromo-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[5-(5-bromo-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is CNC(C)Cc1noc(-c2n[nH]c3ccc(Br)cc23)n1.
What is the InChIKey of 1-[5-(5-bromo-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The InChIKey is FRCJMRSVKMBAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN5O/c1-7(15-2)5-11-16-13(20-19-11)12-9-6-8(14)3-4-10(9)17-18-12/h3-4,6-7,15H,5H2,1-2H3,(H,17,18).
What are the key properties of 1-[5-(5-bromo-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
1-[5-(5-bromo-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine has a molecular weight of 336.19 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-bromo-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 120865238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).