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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(3-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 80640946
2-(3-bromothiophen-2-yl)-5-(1-chloroethyl)-1,3,4-oxadiazole
CID 63796850
1-[5-(3-bromo-4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 107993123
1-[5-(3-chloro-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 103405529
N-ethyl-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propan-1-amine
CID 55124400
N-ethyl-1-[5-(1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 63023235
N-ethyl-1-[5-(2-iodophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62858439
1-[5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 55124542
N-ethyl-1-[5-(thiadiazol-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 65216144
N-ethyl-1-[5-(3-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62858603
2-(3-bromothiophen-2-yl)-5-iodo-1,3,4-oxadiazole
CID 114771758
1-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 62857282

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).