1-(5-bromo-2-pyridinyl)-3-(1,2-oxazol-5-yl)urea

C9H7BrN4O2 — CID 108814254

IUPAC1-(5-bromo-2-pyridinyl)-3-(1,2-oxazol-5-yl)urea
SMILESO=C(Nc1ccc(Br)cn1)Nc1ccno1
InChIInChI=1S/C9H7BrN4O2/c10-6-1-2-7(11-5-6)13-9(15)14-8-3-4-12-16-8/h1-5H,(H2,11,13,14,15)
InChIKeyRFXCYACCQVBOKW-UHFFFAOYSA-N
MW283.09 g/mol
LogP2.48
Rot. Bonds2

About 1-(5-bromo-2-pyridinyl)-3-(1,2-oxazol-5-yl)urea

1-(5-bromo-2-pyridinyl)-3-(1,2-oxazol-5-yl)urea (PubChem CID 108814254) has the molecular formula C9H7BrN4O2 and a molecular weight of 283.09 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-(1,2-oxazol-5-yl)urea.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-(1,2-oxazol-5-yl)urea
PubChem CID108814254
Molecular FormulaC9H7BrN4O2
Molecular Weight283.09 g/mol
Exact Mass281.98
IUPAC Name1-(5-bromo-2-pyridinyl)-3-(1,2-oxazol-5-yl)urea
SMILESO=C(Nc1ccc(Br)cn1)Nc1ccno1
InChIInChI=1S/C9H7BrN4O2/c10-6-1-2-7(11-5-6)13-9(15)14-8-3-4-12-16-8/h1-5H,(H2,11,13,14,15)
InChIKeyRFXCYACCQVBOKW-UHFFFAOYSA-N
XLogP2.48
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.09
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3-(1,2-oxazol-5-yl)urea?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-(1,2-oxazol-5-yl)urea (CID 108814254) is 1-(5-bromo-2-pyridinyl)-3-(1,2-oxazol-5-yl)urea.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-(1,2-oxazol-5-yl)urea?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-(1,2-oxazol-5-yl)urea is O=C(Nc1ccc(Br)cn1)Nc1ccno1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-(1,2-oxazol-5-yl)urea?
The InChIKey is RFXCYACCQVBOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4O2/c10-6-1-2-7(11-5-6)13-9(15)14-8-3-4-12-16-8/h1-5H,(H2,11,13,14,15).
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-(1,2-oxazol-5-yl)urea?
1-(5-bromo-2-pyridinyl)-3-(1,2-oxazol-5-yl)urea has a molecular weight of 283.09 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-3-(1,2-oxazol-5-yl)urea is sourced from PubChem (CID 108814254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).