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

C11H7BrN2O2S — CID 62501048

IUPAC3-(5-bromofuran-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(Br)o2)c1-c1cccs1
InChIInChI=1S/C11H7BrN2O2S/c12-8-4-3-6(15-8)10-9(11(13)16-14-10)7-2-1-5-17-7/h1-5H,13H2
InChIKeyZWCPCLHPZLZNCV-UHFFFAOYSA-N
MW311.16 g/mol
LogP4.01
Rot. Bonds2

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

3-(5-bromofuran-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine (PubChem CID 62501048) has the molecular formula C11H7BrN2O2S and a molecular weight of 311.16 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine
PubChem CID62501048
Molecular FormulaC11H7BrN2O2S
Molecular Weight311.16 g/mol
Exact Mass309.94
IUPAC Name3-(5-bromofuran-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(Br)o2)c1-c1cccs1
InChIInChI=1S/C11H7BrN2O2S/c12-8-4-3-6(15-8)10-9(11(13)16-14-10)7-2-1-5-17-7/h1-5H,13H2
InChIKeyZWCPCLHPZLZNCV-UHFFFAOYSA-N
XLogP4.01
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromofuran-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-bromofuran-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine (CID 62501048) is 3-(5-bromofuran-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-bromofuran-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine is Nc1onc(-c2ccc(Br)o2)c1-c1cccs1.
What is the InChIKey of 3-(5-bromofuran-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
The InChIKey is ZWCPCLHPZLZNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2O2S/c12-8-4-3-6(15-8)10-9(11(13)16-14-10)7-2-1-5-17-7/h1-5H,13H2.
What are the key properties of 3-(5-bromofuran-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
3-(5-bromofuran-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine has a molecular weight of 311.16 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromofuran-2-yl)-4-thiophen-2-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 62501048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).