3-(4-bromothiophen-2-yl)-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-oxadiazole

C14H12BrN3OS — CID 75453241

IUPAC3-(4-bromothiophen-2-yl)-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-oxadiazole
SMILESCC(C)(c1cccnc1)c1nc(-c2cc(Br)cs2)no1
InChIInChI=1S/C14H12BrN3OS/c1-14(2,9-4-3-5-16-7-9)13-17-12(18-19-13)11-6-10(15)8-20-11/h3-8H,1-2H3
InChIKeyIARLSCRYYOYOBW-UHFFFAOYSA-N
MW350.24 g/mol
LogP4.28
Rot. Bonds3

About 3-(4-bromothiophen-2-yl)-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-oxadiazole

3-(4-bromothiophen-2-yl)-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-oxadiazole (PubChem CID 75453241) has the molecular formula C14H12BrN3OS and a molecular weight of 350.24 g/mol. Its IUPAC name is 3-(4-bromothiophen-2-yl)-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-bromothiophen-2-yl)-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-oxadiazole
PubChem CID75453241
Molecular FormulaC14H12BrN3OS
Molecular Weight350.24 g/mol
Exact Mass348.99
IUPAC Name3-(4-bromothiophen-2-yl)-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-oxadiazole
SMILESCC(C)(c1cccnc1)c1nc(-c2cc(Br)cs2)no1
InChIInChI=1S/C14H12BrN3OS/c1-14(2,9-4-3-5-16-7-9)13-17-12(18-19-13)11-6-10(15)8-20-11/h3-8H,1-2H3
InChIKeyIARLSCRYYOYOBW-UHFFFAOYSA-N
XLogP4.28
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-bromothiophen-2-yl)-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

4-[2-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-yl]aniline
CID 80549367
3-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 79803721
3-(4-bromothiophen-2-yl)pyridine
CID 22180781
3-[3-(piperidin-1-ylmethyl)phenyl]-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-oxadiazole
CID 75453244
(1S)-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 103832537
3-phenyl-5-(2-phenylpropan-2-yl)-1,2,4-oxadiazole
CID 154838471
1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpropan-1-amine
CID 86806592
N-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 62817975
1-cyclopropyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 64667279
(1S)-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 103832546
(2S)-2-amino-2-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915736
1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 62488715

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromothiophen-2-yl)-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-bromothiophen-2-yl)-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-oxadiazole (CID 75453241) is 3-(4-bromothiophen-2-yl)-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-bromothiophen-2-yl)-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-bromothiophen-2-yl)-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-oxadiazole is CC(C)(c1cccnc1)c1nc(-c2cc(Br)cs2)no1.
What is the InChIKey of 3-(4-bromothiophen-2-yl)-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-oxadiazole?
The InChIKey is IARLSCRYYOYOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3OS/c1-14(2,9-4-3-5-16-7-9)13-17-12(18-19-13)11-6-10(15)8-20-11/h3-8H,1-2H3.
What are the key properties of 3-(4-bromothiophen-2-yl)-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-oxadiazole?
3-(4-bromothiophen-2-yl)-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-oxadiazole has a molecular weight of 350.24 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromothiophen-2-yl)-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 75453241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).