1-[5-(3-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine

C11H14BrN3OS — CID 63799994

IUPAC1-[5-(3-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1nnc(-c2sccc2Br)o1
InChIInChI=1S/C11H14BrN3OS/c1-3-8(13-4-2)10-14-15-11(16-10)9-7(12)5-6-17-9/h5-6,8,13H,3-4H2,1-2H3
InChIKeyODXZFAMCEMBVQZ-UHFFFAOYSA-N
MW316.22 g/mol
LogP3.62
Rot. Bonds5

About 1-[5-(3-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine

1-[5-(3-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine (PubChem CID 63799994) has the molecular formula C11H14BrN3OS and a molecular weight of 316.22 g/mol. Its IUPAC name is 1-[5-(3-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(3-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
PubChem CID63799994
Molecular FormulaC11H14BrN3OS
Molecular Weight316.22 g/mol
Exact Mass315.00
IUPAC Name1-[5-(3-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1nnc(-c2sccc2Br)o1
InChIInChI=1S/C11H14BrN3OS/c1-3-8(13-4-2)10-14-15-11(16-10)9-7(12)5-6-17-9/h5-6,8,13H,3-4H2,1-2H3
InChIKeyODXZFAMCEMBVQZ-UHFFFAOYSA-N
XLogP3.62
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.22
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[5-(3-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine (CID 63799994) is 1-[5-(3-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[5-(3-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[5-(3-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine is CCNC(CC)c1nnc(-c2sccc2Br)o1.
What is the InChIKey of 1-[5-(3-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine?
The InChIKey is ODXZFAMCEMBVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3OS/c1-3-8(13-4-2)10-14-15-11(16-10)9-7(12)5-6-17-9/h5-6,8,13H,3-4H2,1-2H3.
What are the key properties of 1-[5-(3-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine?
1-[5-(3-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine has a molecular weight of 316.22 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine is sourced from PubChem (CID 63799994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).