3-(3-bromo-5-methylphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine

C14H11BrN2OS — CID 104853233

IUPAC3-(3-bromo-5-methylphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
SMILESCc1cc(Br)cc(-c2noc(N)c2-c2cccs2)c1
InChIInChI=1S/C14H11BrN2OS/c1-8-5-9(7-10(15)6-8)13-12(14(16)18-17-13)11-3-2-4-19-11/h2-7H,16H2,1H3
InChIKeyBGVBUDZEEQNQNE-UHFFFAOYSA-N
MW335.23 g/mol
LogP4.72
Rot. Bonds2

About 3-(3-bromo-5-methylphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine

3-(3-bromo-5-methylphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine (PubChem CID 104853233) has the molecular formula C14H11BrN2OS and a molecular weight of 335.23 g/mol. Its IUPAC name is 3-(3-bromo-5-methylphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-bromo-5-methylphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
PubChem CID104853233
Molecular FormulaC14H11BrN2OS
Molecular Weight335.23 g/mol
Exact Mass333.98
IUPAC Name3-(3-bromo-5-methylphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
SMILESCc1cc(Br)cc(-c2noc(N)c2-c2cccs2)c1
InChIInChI=1S/C14H11BrN2OS/c1-8-5-9(7-10(15)6-8)13-12(14(16)18-17-13)11-3-2-4-19-11/h2-7H,16H2,1H3
InChIKeyBGVBUDZEEQNQNE-UHFFFAOYSA-N
XLogP4.72
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-methylphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-bromo-5-methylphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine (CID 104853233) is 3-(3-bromo-5-methylphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-bromo-5-methylphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-bromo-5-methylphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine is Cc1cc(Br)cc(-c2noc(N)c2-c2cccs2)c1.
What is the InChIKey of 3-(3-bromo-5-methylphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
The InChIKey is BGVBUDZEEQNQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2OS/c1-8-5-9(7-10(15)6-8)13-12(14(16)18-17-13)11-3-2-4-19-11/h2-7H,16H2,1H3.
What are the key properties of 3-(3-bromo-5-methylphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
3-(3-bromo-5-methylphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine has a molecular weight of 335.23 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-methylphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 104853233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).