1-[2-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]propan-2-amine

C10H11BrN2OS — CID 115086566

IUPAC1-[2-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]propan-2-amine
SMILESCC(N)Cc1cnc(-c2ccc(Br)s2)o1
InChIInChI=1S/C10H11BrN2OS/c1-6(12)4-7-5-13-10(14-7)8-2-3-9(11)15-8/h2-3,5-6H,4,12H2,1H3
InChIKeyIAQBNADTKHHRAC-UHFFFAOYSA-N
MW287.18 g/mol
LogP3.06
Rot. Bonds3

About 1-[2-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]propan-2-amine

1-[2-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]propan-2-amine (PubChem CID 115086566) has the molecular formula C10H11BrN2OS and a molecular weight of 287.18 g/mol. Its IUPAC name is 1-[2-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]propan-2-amine
PubChem CID115086566
Molecular FormulaC10H11BrN2OS
Molecular Weight287.18 g/mol
Exact Mass285.98
IUPAC Name1-[2-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]propan-2-amine
SMILESCC(N)Cc1cnc(-c2ccc(Br)s2)o1
InChIInChI=1S/C10H11BrN2OS/c1-6(12)4-7-5-13-10(14-7)8-2-3-9(11)15-8/h2-3,5-6H,4,12H2,1H3
InChIKeyIAQBNADTKHHRAC-UHFFFAOYSA-N
XLogP3.06
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]propan-2-ol
CID 115086475
1-[2-(2-fluorophenyl)-1,3-oxazol-5-yl]propan-2-amine
CID 115087279
1-[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]propan-2-amine
CID 116897913
1-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-2-amine
CID 62652862
1-[2-(5-bromothiophen-2-yl)-1,3-thiazol-5-yl]-N-methylpropan-2-amine
CID 115091295
1-[2-(4-bromophenyl)-1,3-thiazol-5-yl]propan-2-amine
CID 115091945
5-bromo-2-(5-methylthiophen-2-yl)-1,3-oxazole
CID 117258871
1-[2-(4-bromophenyl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine
CID 115087389
ethyl 5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole-2-carboxylate
CID 112685416
3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-2-methylpropan-1-amine
CID 66225672
(2S)-1-(2-methyl-1,3-thiazol-5-yl)propan-2-amine
CID 95426522
2-(5-bromothiophen-2-yl)-4,5-dimethyl-1,3-oxazole
CID 58664159

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]propan-2-amine?
The IUPAC name of 1-[2-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]propan-2-amine (CID 115086566) is 1-[2-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]propan-2-amine.
What is the SMILES notation for 1-[2-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]propan-2-amine?
The canonical SMILES for 1-[2-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]propan-2-amine is CC(N)Cc1cnc(-c2ccc(Br)s2)o1.
What is the InChIKey of 1-[2-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]propan-2-amine?
The InChIKey is IAQBNADTKHHRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2OS/c1-6(12)4-7-5-13-10(14-7)8-2-3-9(11)15-8/h2-3,5-6H,4,12H2,1H3.
What are the key properties of 1-[2-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]propan-2-amine?
1-[2-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]propan-2-amine has a molecular weight of 287.18 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]propan-2-amine is sourced from PubChem (CID 115086566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).