[4-(5-bromo-1,3,4-oxadiazol-2-yl)phenyl]methanamine

C9H8BrN3O — CID 84708076

IUPAC[4-(5-bromo-1,3,4-oxadiazol-2-yl)phenyl]methanamine
SMILESNCc1ccc(-c2nnc(Br)o2)cc1
InChIInChI=1S/C9H8BrN3O/c10-9-13-12-8(14-9)7-3-1-6(5-11)2-4-7/h1-4H,5,11H2
InChIKeyPUWBFXDPGBZRDW-UHFFFAOYSA-N
MW254.09 g/mol
LogP1.96
Rot. Bonds2

About [4-(5-bromo-1,3,4-oxadiazol-2-yl)phenyl]methanamine

[4-(5-bromo-1,3,4-oxadiazol-2-yl)phenyl]methanamine (PubChem CID 84708076) has the molecular formula C9H8BrN3O and a molecular weight of 254.09 g/mol. Its IUPAC name is [4-(5-bromo-1,3,4-oxadiazol-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(5-bromo-1,3,4-oxadiazol-2-yl)phenyl]methanamine
PubChem CID84708076
Molecular FormulaC9H8BrN3O
Molecular Weight254.09 g/mol
Exact Mass252.99
IUPAC Name[4-(5-bromo-1,3,4-oxadiazol-2-yl)phenyl]methanamine
SMILESNCc1ccc(-c2nnc(Br)o2)cc1
InChIInChI=1S/C9H8BrN3O/c10-9-13-12-8(14-9)7-3-1-6(5-11)2-4-7/h1-4H,5,11H2
InChIKeyPUWBFXDPGBZRDW-UHFFFAOYSA-N
XLogP1.96
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.09
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 70874023
4-(5-bromo-1,3,4-oxadiazol-2-yl)benzonitrile
CID 114771370
[4-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)phenyl]methanamine
CID 82483584
2-bromo-5-(4-butoxyphenyl)-1,3,4-oxadiazole
CID 114771327
[4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine
CID 39869198
2-bromo-5-naphthalen-2-yl-1,3,4-oxadiazole
CID 114771088
2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanamine
CID 82469844
3-(5-bromo-1,3,4-oxadiazol-2-yl)benzonitrile
CID 114771083
[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
CID 28527543
5-(4-ethylphenyl)-1,3,4-oxadiazol-2-amine
CID 18073044
2-bromo-5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazole
CID 114771100
2-bromo-5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazole
CID 107944228

Frequently Asked Questions

What is the IUPAC name of [4-(5-bromo-1,3,4-oxadiazol-2-yl)phenyl]methanamine?
The IUPAC name of [4-(5-bromo-1,3,4-oxadiazol-2-yl)phenyl]methanamine (CID 84708076) is [4-(5-bromo-1,3,4-oxadiazol-2-yl)phenyl]methanamine.
What is the SMILES notation for [4-(5-bromo-1,3,4-oxadiazol-2-yl)phenyl]methanamine?
The canonical SMILES for [4-(5-bromo-1,3,4-oxadiazol-2-yl)phenyl]methanamine is NCc1ccc(-c2nnc(Br)o2)cc1.
What is the InChIKey of [4-(5-bromo-1,3,4-oxadiazol-2-yl)phenyl]methanamine?
The InChIKey is PUWBFXDPGBZRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O/c10-9-13-12-8(14-9)7-3-1-6(5-11)2-4-7/h1-4H,5,11H2.
What are the key properties of [4-(5-bromo-1,3,4-oxadiazol-2-yl)phenyl]methanamine?
[4-(5-bromo-1,3,4-oxadiazol-2-yl)phenyl]methanamine has a molecular weight of 254.09 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromo-1,3,4-oxadiazol-2-yl)phenyl]methanamine is sourced from PubChem (CID 84708076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).