3-(5-bromothiophen-2-yl)-2-butan-2-yl-5H-1,2-oxazol-5-amine

C11H15BrN2OS — CID 91416802

IUPAC3-(5-bromothiophen-2-yl)-2-butan-2-yl-5H-1,2-oxazol-5-amine
SMILESCCC(C)N1OC(N)C=C1c1ccc(Br)s1
InChIInChI=1S/C11H15BrN2OS/c1-3-7(2)14-8(6-11(13)15-14)9-4-5-10(12)16-9/h4-7,11H,3,13H2,1-2H3
InChIKeyFDXLIFJLTBMCJE-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.18
Rot. Bonds3

About 3-(5-bromothiophen-2-yl)-2-butan-2-yl-5H-1,2-oxazol-5-amine

3-(5-bromothiophen-2-yl)-2-butan-2-yl-5H-1,2-oxazol-5-amine (PubChem CID 91416802) has the molecular formula C11H15BrN2OS and a molecular weight of 303.23 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-2-butan-2-yl-5H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-2-butan-2-yl-5H-1,2-oxazol-5-amine
PubChem CID91416802
Molecular FormulaC11H15BrN2OS
Molecular Weight303.23 g/mol
Exact Mass302.01
IUPAC Name3-(5-bromothiophen-2-yl)-2-butan-2-yl-5H-1,2-oxazol-5-amine
SMILESCCC(C)N1OC(N)C=C1c1ccc(Br)s1
InChIInChI=1S/C11H15BrN2OS/c1-3-7(2)14-8(6-11(13)15-14)9-4-5-10(12)16-9/h4-7,11H,3,13H2,1-2H3
InChIKeyFDXLIFJLTBMCJE-UHFFFAOYSA-N
XLogP3.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)-2-butan-2-yl-5H-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-bromothiophen-2-yl)-2-butan-2-yl-5H-1,2-oxazol-5-amine (CID 91416802) is 3-(5-bromothiophen-2-yl)-2-butan-2-yl-5H-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-2-butan-2-yl-5H-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-2-butan-2-yl-5H-1,2-oxazol-5-amine is CCC(C)N1OC(N)C=C1c1ccc(Br)s1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-2-butan-2-yl-5H-1,2-oxazol-5-amine?
The InChIKey is FDXLIFJLTBMCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2OS/c1-3-7(2)14-8(6-11(13)15-14)9-4-5-10(12)16-9/h4-7,11H,3,13H2,1-2H3.
What are the key properties of 3-(5-bromothiophen-2-yl)-2-butan-2-yl-5H-1,2-oxazol-5-amine?
3-(5-bromothiophen-2-yl)-2-butan-2-yl-5H-1,2-oxazol-5-amine has a molecular weight of 303.23 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)-2-butan-2-yl-5H-1,2-oxazol-5-amine is sourced from PubChem (CID 91416802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).