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

C8H8BrN3O2 — CID 106855921

IUPAC1-[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCC(N)c1nnc(-c2ccoc2Br)o1
InChIInChI=1S/C8H8BrN3O2/c1-4(10)7-11-12-8(14-7)5-2-3-13-6(5)9/h2-4H,10H2,1H3
InChIKeyQCCVRXAKCTYSIT-UHFFFAOYSA-N
MW258.07 g/mol
LogP2.11
Rot. Bonds2

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

1-[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 106855921) has the molecular formula C8H8BrN3O2 and a molecular weight of 258.07 g/mol. Its IUPAC name is 1-[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID106855921
Molecular FormulaC8H8BrN3O2
Molecular Weight258.07 g/mol
Exact Mass256.98
IUPAC Name1-[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCC(N)c1nnc(-c2ccoc2Br)o1
InChIInChI=1S/C8H8BrN3O2/c1-4(10)7-11-12-8(14-7)5-2-3-13-6(5)9/h2-4H,10H2,1H3
InChIKeyQCCVRXAKCTYSIT-UHFFFAOYSA-N
XLogP2.11
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.07
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-5-(2-bromofuran-3-yl)-1,3,4-oxadiazole
CID 106856548
(1S)-1-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 42046774
[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 106855917
N-[[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine
CID 106855933
1-[5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62070255
1-[5-(4-chloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 55035148
1-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62070438
1-[5-(2-methyl-5-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 55035147
1-(5-chloro-1,3,4-oxadiazol-2-yl)ethanamine
CID 84649192
(1R)-1-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 42046788
5-(2-bromofuran-3-yl)-2-(1-chloroethyl)-1,3-oxazole
CID 106856290
1-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine;hydrochloride
CID 71692413

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 106855921) is 1-[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine is CC(N)c1nnc(-c2ccoc2Br)o1.
What is the InChIKey of 1-[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is QCCVRXAKCTYSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O2/c1-4(10)7-11-12-8(14-7)5-2-3-13-6(5)9/h2-4H,10H2,1H3.
What are the key properties of 1-[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
1-[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 258.07 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 106855921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).