N-[6-bromo-2-(oxetan-3-yloxy)-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

C19H15BrFN3O4 — CID 166108572

IUPACN-[6-bromo-2-(oxetan-3-yloxy)-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc(Br)nc1OC1COC1
InChIInChI=1S/C19H15BrFN3O4/c1-10-16(17(24-28-10)11-2-4-12(21)5-3-11)18(25)22-14-6-7-15(20)23-19(14)27-13-8-26-9-13/h2-7,13H,8-9H2,1H3,(H,22,25)
InChIKeyXUZNKPJDOSBZEN-UHFFFAOYSA-N
MW448.25 g/mol
LogP3.98
Rot. Bonds5

About N-[6-bromo-2-(oxetan-3-yloxy)-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

N-[6-bromo-2-(oxetan-3-yloxy)-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 166108572) has the molecular formula C19H15BrFN3O4 and a molecular weight of 448.25 g/mol. Its IUPAC name is N-[6-bromo-2-(oxetan-3-yloxy)-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-bromo-2-(oxetan-3-yloxy)-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID166108572
Molecular FormulaC19H15BrFN3O4
Molecular Weight448.25 g/mol
Exact Mass447.02
IUPAC NameN-[6-bromo-2-(oxetan-3-yloxy)-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc(Br)nc1OC1COC1
InChIInChI=1S/C19H15BrFN3O4/c1-10-16(17(24-28-10)11-2-4-12(21)5-3-11)18(25)22-14-6-7-15(20)23-19(14)27-13-8-26-9-13/h2-7,13H,8-9H2,1H3,(H,22,25)
InChIKeyXUZNKPJDOSBZEN-UHFFFAOYSA-N
XLogP3.98
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.25
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[6-bromo-2-(oxetan-3-yloxy)-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide 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 N-[6-bromo-2-(oxetan-3-yloxy)-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[6-bromo-2-(oxetan-3-yloxy)-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 166108572) is N-[6-bromo-2-(oxetan-3-yloxy)-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-bromo-2-(oxetan-3-yloxy)-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[6-bromo-2-(oxetan-3-yloxy)-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccc(Br)nc1OC1COC1.
What is the InChIKey of N-[6-bromo-2-(oxetan-3-yloxy)-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is XUZNKPJDOSBZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrFN3O4/c1-10-16(17(24-28-10)11-2-4-12(21)5-3-11)18(25)22-14-6-7-15(20)23-19(14)27-13-8-26-9-13/h2-7,13H,8-9H2,1H3,(H,22,25).
What are the key properties of N-[6-bromo-2-(oxetan-3-yloxy)-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-[6-bromo-2-(oxetan-3-yloxy)-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 448.25 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-bromo-2-(oxetan-3-yloxy)-3-pyridinyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 166108572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).