(2R)-1-[3-(4-bromothiophen-3-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-2-amine

C15H14BrN3OS — CID 166272061

IUPAC(2R)-1-[3-(4-bromothiophen-3-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-2-amine
SMILESN[C@H](Cc1ccccc1)Cc1nc(-c2cscc2Br)no1
InChIInChI=1S/C15H14BrN3OS/c16-13-9-21-8-12(13)15-18-14(20-19-15)7-11(17)6-10-4-2-1-3-5-10/h1-5,8-9,11H,6-7,17H2/t11-/m1/s1
InChIKeyDOYFKMGEHQVVGI-LLVKDONJSA-N
MW364.27 g/mol
LogP3.67
Rot. Bonds5

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

(2R)-1-[3-(4-bromothiophen-3-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-2-amine (PubChem CID 166272061) has the molecular formula C15H14BrN3OS and a molecular weight of 364.27 g/mol. Its IUPAC name is (2R)-1-[3-(4-bromothiophen-3-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-2-amine.

Molecular Properties

Compound Name(2R)-1-[3-(4-bromothiophen-3-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-2-amine
PubChem CID166272061
Molecular FormulaC15H14BrN3OS
Molecular Weight364.27 g/mol
Exact Mass363.00
IUPAC Name(2R)-1-[3-(4-bromothiophen-3-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-2-amine
SMILESN[C@H](Cc1ccccc1)Cc1nc(-c2cscc2Br)no1
InChIInChI=1S/C15H14BrN3OS/c16-13-9-21-8-12(13)15-18-14(20-19-15)7-11(17)6-10-4-2-1-3-5-10/h1-5,8-9,11H,6-7,17H2/t11-/m1/s1
InChIKeyDOYFKMGEHQVVGI-LLVKDONJSA-N
XLogP3.67
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.27
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63350731
1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-2-amine
CID 166230203
1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 63350773
1-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 107280243
1-phenyl-2-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 43627790
3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol
CID 55202022
1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 43358487
1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 62715597
1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63348856
1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350181
2-[[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-phenylpropanamide
CID 154806250
4-[[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 63844567

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-(4-bromothiophen-3-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-2-amine?
The IUPAC name of (2R)-1-[3-(4-bromothiophen-3-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-2-amine (CID 166272061) is (2R)-1-[3-(4-bromothiophen-3-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-2-amine.
What is the SMILES notation for (2R)-1-[3-(4-bromothiophen-3-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-2-amine?
The canonical SMILES for (2R)-1-[3-(4-bromothiophen-3-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-2-amine is N[C@H](Cc1ccccc1)Cc1nc(-c2cscc2Br)no1.
What is the InChIKey of (2R)-1-[3-(4-bromothiophen-3-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-2-amine?
The InChIKey is DOYFKMGEHQVVGI-LLVKDONJSA-N. The full InChI is InChI=1S/C15H14BrN3OS/c16-13-9-21-8-12(13)15-18-14(20-19-15)7-11(17)6-10-4-2-1-3-5-10/h1-5,8-9,11H,6-7,17H2/t11-/m1/s1.
What are the key properties of (2R)-1-[3-(4-bromothiophen-3-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-2-amine?
(2R)-1-[3-(4-bromothiophen-3-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-2-amine has a molecular weight of 364.27 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-(4-bromothiophen-3-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-2-amine is sourced from PubChem (CID 166272061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).