5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine

C8H6BrN3O — CID 3490544

IUPAC5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2cccc(Br)c2)o1
InChIInChI=1S/C8H6BrN3O/c9-6-3-1-2-5(4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12)
InChIKeyCVVNMXRTDJRCHC-UHFFFAOYSA-N
MW240.06 g/mol
LogP2.08
Rot. Bonds1

About 5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine

5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 3490544) has the molecular formula C8H6BrN3O and a molecular weight of 240.06 g/mol. Its IUPAC name is 5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine
PubChem CID3490544
Molecular FormulaC8H6BrN3O
Molecular Weight240.06 g/mol
Exact Mass238.97
IUPAC Name5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2cccc(Br)c2)o1
InChIInChI=1S/C8H6BrN3O/c9-6-3-1-2-5(4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12)
InChIKeyCVVNMXRTDJRCHC-UHFFFAOYSA-N
XLogP2.08
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.06
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-Bromophenyl)-1,3,4-oxadiazol-2-amine
CID 356897
1,3,4-Oxadiazole, 2-amino-5-phenyl-
CID 15363
2-(3-Bromophenyl)-1,3,4-oxadiazole
CID 978127
5-(4-Methylphenyl)-1,3,4-oxadiazol-2-amine
CID 356898
2-(3-Bromophenyl)-5-phenyl-1,3,4-oxadiazole
CID 96737
1,3,4-Oxadiazole, 2-amino-5-(alpha,alpha,alpha-trifluoro-m-tolyl)-
CID 21938
2-(4-Bromophenyl)-1,3,4-oxadiazole
CID 715120
2-(3-Bromo-4-methylphenyl)-5-phenyl-1,3,4-oxadiazole
CID 659535
5-(4-Tert-butylphenyl)-1,3,4-oxadiazol-2-amine
CID 2737915
1,3,4-Oxadiazole, 2-amino-5-(o-tolyl)-
CID 15637
2-(3-Bromophenyl)-5-methyl-1,3,4-oxadiazole
CID 26966989
5-(3-Fluorophenyl)-1,3,4-oxadiazol-2-amine
CID 20113026

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine (CID 3490544) is 5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine is Nc1nnc(-c2cccc(Br)c2)o1.
What is the InChIKey of 5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is CVVNMXRTDJRCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O/c9-6-3-1-2-5(4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12).
What are the key properties of 5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine?
5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 240.06 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 3490544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).