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

C9H10BrN3O2 — CID 106855863

IUPAC3-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESNCCCc1noc(-c2ccoc2Br)n1
InChIInChI=1S/C9H10BrN3O2/c10-8-6(3-5-14-8)9-12-7(13-15-9)2-1-4-11/h3,5H,1-2,4,11H2
InChIKeyXTVRZVDONPSUST-UHFFFAOYSA-N
MW272.10 g/mol
LogP1.98
Rot. Bonds4

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

3-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 106855863) has the molecular formula C9H10BrN3O2 and a molecular weight of 272.10 g/mol. Its IUPAC name is 3-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID106855863
Molecular FormulaC9H10BrN3O2
Molecular Weight272.10 g/mol
Exact Mass271.00
IUPAC Name3-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESNCCCc1noc(-c2ccoc2Br)n1
InChIInChI=1S/C9H10BrN3O2/c10-8-6(3-5-14-8)9-12-7(13-15-9)2-1-4-11/h3,5H,1-2,4,11H2
InChIKeyXTVRZVDONPSUST-UHFFFAOYSA-N
XLogP1.98
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]methanol
CID 106854843
3-[5-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 79206531
2-[5-(2,5-dibromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 114375340
2-[5-(2-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 164654503
2-amino-2-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 106855875
3-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62921321
3-[5-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 55102222
4-[3-(3-aminopropyl)-1,2,4-oxadiazol-5-yl]-6-chloropyridin-2-amine
CID 166432714
3-[5-(3-ethyl-1-methylpyrazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 66120174
3-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115079621
4-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 136673921
2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61334113

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of 3-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 106855863) is 3-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for 3-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine is NCCCc1noc(-c2ccoc2Br)n1.
What is the InChIKey of 3-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is XTVRZVDONPSUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O2/c10-8-6(3-5-14-8)9-12-7(13-15-9)2-1-4-11/h3,5H,1-2,4,11H2.
What are the key properties of 3-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
3-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 272.10 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine is sourced from PubChem (CID 106855863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).