1-(6-bromo-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)-3-prop-2-enylurea

C11H11BrN4O2 — CID 59352826

IUPAC1-(6-bromo-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1nc2cc(Br)c(C)nc2o1
InChIInChI=1S/C11H11BrN4O2/c1-3-4-13-10(17)16-11-15-8-5-7(12)6(2)14-9(8)18-11/h3,5H,1,4H2,2H3,(H2,13,15,16,17)
InChIKeyQUXCMABRIDNQBF-UHFFFAOYSA-N
MW311.14 g/mol
LogP2.60
Rot. Bonds3

About 1-(6-bromo-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)-3-prop-2-enylurea

1-(6-bromo-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)-3-prop-2-enylurea (PubChem CID 59352826) has the molecular formula C11H11BrN4O2 and a molecular weight of 311.14 g/mol. Its IUPAC name is 1-(6-bromo-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)-3-prop-2-enylurea.

Molecular Properties

Compound Name1-(6-bromo-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)-3-prop-2-enylurea
PubChem CID59352826
Molecular FormulaC11H11BrN4O2
Molecular Weight311.14 g/mol
Exact Mass310.01
IUPAC Name1-(6-bromo-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1nc2cc(Br)c(C)nc2o1
InChIInChI=1S/C11H11BrN4O2/c1-3-4-13-10(17)16-11-15-8-5-7(12)6(2)14-9(8)18-11/h3,5H,1,4H2,2H3,(H2,13,15,16,17)
InChIKeyQUXCMABRIDNQBF-UHFFFAOYSA-N
XLogP2.60
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(6-bromo-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)-3-prop-2-enylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)-3-prop-2-enylurea?
The IUPAC name of 1-(6-bromo-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)-3-prop-2-enylurea (CID 59352826) is 1-(6-bromo-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)-3-prop-2-enylurea.
What is the SMILES notation for 1-(6-bromo-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)-3-prop-2-enylurea?
The canonical SMILES for 1-(6-bromo-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)-3-prop-2-enylurea is C=CCNC(=O)Nc1nc2cc(Br)c(C)nc2o1.
What is the InChIKey of 1-(6-bromo-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)-3-prop-2-enylurea?
The InChIKey is QUXCMABRIDNQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O2/c1-3-4-13-10(17)16-11-15-8-5-7(12)6(2)14-9(8)18-11/h3,5H,1,4H2,2H3,(H2,13,15,16,17).
What are the key properties of 1-(6-bromo-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)-3-prop-2-enylurea?
1-(6-bromo-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)-3-prop-2-enylurea has a molecular weight of 311.14 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl)-3-prop-2-enylurea is sourced from PubChem (CID 59352826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).