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

C12H8BrN3O2 — CID 80525756

IUPAC5-(5-bromofuran-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(Br)o2)c1-c1ccncc1
InChIInChI=1S/C12H8BrN3O2/c13-9-2-1-8(17-9)11-10(12(14)16-18-11)7-3-5-15-6-4-7/h1-6H,(H2,14,16)
InChIKeyNKBNTSXOJMVZCG-UHFFFAOYSA-N
MW306.12 g/mol
LogP3.34
Rot. Bonds2

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

5-(5-bromofuran-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine (PubChem CID 80525756) has the molecular formula C12H8BrN3O2 and a molecular weight of 306.12 g/mol. Its IUPAC name is 5-(5-bromofuran-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(5-bromofuran-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine
PubChem CID80525756
Molecular FormulaC12H8BrN3O2
Molecular Weight306.12 g/mol
Exact Mass304.98
IUPAC Name5-(5-bromofuran-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(Br)o2)c1-c1ccncc1
InChIInChI=1S/C12H8BrN3O2/c13-9-2-1-8(17-9)11-10(12(14)16-18-11)7-3-5-15-6-4-7/h1-6H,(H2,14,16)
InChIKeyNKBNTSXOJMVZCG-UHFFFAOYSA-N
XLogP3.34
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.12
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromofuran-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine?
The IUPAC name of 5-(5-bromofuran-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine (CID 80525756) is 5-(5-bromofuran-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(5-bromofuran-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(5-bromofuran-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine is Nc1noc(-c2ccc(Br)o2)c1-c1ccncc1.
What is the InChIKey of 5-(5-bromofuran-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine?
The InChIKey is NKBNTSXOJMVZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O2/c13-9-2-1-8(17-9)11-10(12(14)16-18-11)7-3-5-15-6-4-7/h1-6H,(H2,14,16).
What are the key properties of 5-(5-bromofuran-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine?
5-(5-bromofuran-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine has a molecular weight of 306.12 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromofuran-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 80525756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).