5-(5-bromothiophen-3-yl)-4-pyridin-3-yl-1,2-oxazol-3-amine

C12H8BrN3OS — CID 107967228

IUPAC5-(5-bromothiophen-3-yl)-4-pyridin-3-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2csc(Br)c2)c1-c1cccnc1
InChIInChI=1S/C12H8BrN3OS/c13-9-4-8(6-18-9)11-10(12(14)16-17-11)7-2-1-3-15-5-7/h1-6H,(H2,14,16)
InChIKeyYZGSOUIXWYHVNS-UHFFFAOYSA-N
MW322.19 g/mol
LogP3.81
Rot. Bonds2

About 5-(5-bromothiophen-3-yl)-4-pyridin-3-yl-1,2-oxazol-3-amine

5-(5-bromothiophen-3-yl)-4-pyridin-3-yl-1,2-oxazol-3-amine (PubChem CID 107967228) has the molecular formula C12H8BrN3OS and a molecular weight of 322.19 g/mol. Its IUPAC name is 5-(5-bromothiophen-3-yl)-4-pyridin-3-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(5-bromothiophen-3-yl)-4-pyridin-3-yl-1,2-oxazol-3-amine
PubChem CID107967228
Molecular FormulaC12H8BrN3OS
Molecular Weight322.19 g/mol
Exact Mass320.96
IUPAC Name5-(5-bromothiophen-3-yl)-4-pyridin-3-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2csc(Br)c2)c1-c1cccnc1
InChIInChI=1S/C12H8BrN3OS/c13-9-4-8(6-18-9)11-10(12(14)16-17-11)7-2-1-3-15-5-7/h1-6H,(H2,14,16)
InChIKeyYZGSOUIXWYHVNS-UHFFFAOYSA-N
XLogP3.81
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromothiophen-3-yl)-4-pyridin-3-yl-1,2-oxazol-3-amine?
The IUPAC name of 5-(5-bromothiophen-3-yl)-4-pyridin-3-yl-1,2-oxazol-3-amine (CID 107967228) is 5-(5-bromothiophen-3-yl)-4-pyridin-3-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(5-bromothiophen-3-yl)-4-pyridin-3-yl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(5-bromothiophen-3-yl)-4-pyridin-3-yl-1,2-oxazol-3-amine is Nc1noc(-c2csc(Br)c2)c1-c1cccnc1.
What is the InChIKey of 5-(5-bromothiophen-3-yl)-4-pyridin-3-yl-1,2-oxazol-3-amine?
The InChIKey is YZGSOUIXWYHVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3OS/c13-9-4-8(6-18-9)11-10(12(14)16-17-11)7-2-1-3-15-5-7/h1-6H,(H2,14,16).
What are the key properties of 5-(5-bromothiophen-3-yl)-4-pyridin-3-yl-1,2-oxazol-3-amine?
5-(5-bromothiophen-3-yl)-4-pyridin-3-yl-1,2-oxazol-3-amine has a molecular weight of 322.19 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromothiophen-3-yl)-4-pyridin-3-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 107967228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).