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

C7H6BrN3O2 — CID 106855917

IUPAC[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(-c2ccoc2Br)o1
InChIInChI=1S/C7H6BrN3O2/c8-6-4(1-2-12-6)7-11-10-5(3-9)13-7/h1-2H,3,9H2
InChIKeyZXDVUHFUDXFCHU-UHFFFAOYSA-N
MW244.05 g/mol
LogP1.55
Rot. Bonds2

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

[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 106855917) has the molecular formula C7H6BrN3O2 and a molecular weight of 244.05 g/mol. Its IUPAC name is [5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID106855917
Molecular FormulaC7H6BrN3O2
Molecular Weight244.05 g/mol
Exact Mass242.96
IUPAC Name[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(-c2ccoc2Br)o1
InChIInChI=1S/C7H6BrN3O2/c8-6-4(1-2-12-6)7-11-10-5(3-9)13-7/h1-2H,3,9H2
InChIKeyZXDVUHFUDXFCHU-UHFFFAOYSA-N
XLogP1.55
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.05
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]methanamine (CID 106855917) is [5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]methanamine is NCc1nnc(-c2ccoc2Br)o1.
What is the InChIKey of [5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is ZXDVUHFUDXFCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3O2/c8-6-4(1-2-12-6)7-11-10-5(3-9)13-7/h1-2H,3,9H2.
What are the key properties of [5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]methanamine?
[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 244.05 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 106855917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).