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

C11H14BrN3OS — CID 86806592

IUPAC1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpropan-1-amine
SMILESCCC(c1nc(-c2cc(Br)cs2)no1)N(C)C
InChIInChI=1S/C11H14BrN3OS/c1-4-8(15(2)3)11-13-10(14-16-11)9-5-7(12)6-17-9/h5-6,8H,4H2,1-3H3
InChIKeyUHFYBZLDZHRYKU-UHFFFAOYSA-N
MW316.22 g/mol
LogP3.57
Rot. Bonds4

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

1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpropan-1-amine (PubChem CID 86806592) has the molecular formula C11H14BrN3OS and a molecular weight of 316.22 g/mol. Its IUPAC name is 1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpropan-1-amine
PubChem CID86806592
Molecular FormulaC11H14BrN3OS
Molecular Weight316.22 g/mol
Exact Mass315.00
IUPAC Name1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpropan-1-amine
SMILESCCC(c1nc(-c2cc(Br)cs2)no1)N(C)C
InChIInChI=1S/C11H14BrN3OS/c1-4-8(15(2)3)11-13-10(14-16-11)9-5-7(12)6-17-9/h5-6,8H,4H2,1-3H3
InChIKeyUHFYBZLDZHRYKU-UHFFFAOYSA-N
XLogP3.57
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.22
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

(1S)-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 103832546
(1S)-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 103832537
(2S)-2-amino-2-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915736
(1S)-2-amino-1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 107836939
2-[[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81073425
3-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 79803721
1-[5-[2-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120868184
2-[[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide
CID 47324014
N-(1-aminopropan-2-yl)-3-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride
CID 119581548
3-[3-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl-methylamino]propanoic acid
CID 119232403
4-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutanenitrile
CID 106525506
4-[[[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]-N-methylbenzamide
CID 55912584

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpropan-1-amine (CID 86806592) is 1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpropan-1-amine is CCC(c1nc(-c2cc(Br)cs2)no1)N(C)C.
What is the InChIKey of 1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is UHFYBZLDZHRYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3OS/c1-4-8(15(2)3)11-13-10(14-16-11)9-5-7(12)6-17-9/h5-6,8H,4H2,1-3H3.
What are the key properties of 1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpropan-1-amine?
1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 316.22 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 86806592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).