4-(2-bromo-4-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole

C15H11BrN2O — CID 23435665

IUPAC4-(2-bromo-4-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole
SMILESCc1onc(-c2ccccc2)c1-c1ccnc(Br)c1
InChIInChI=1S/C15H11BrN2O/c1-10-14(12-7-8-17-13(16)9-12)15(18-19-10)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyQNLFDHPGXMUMJD-UHFFFAOYSA-N
MW315.17 g/mol
LogP4.47
Rot. Bonds2

About 4-(2-bromo-4-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole

4-(2-bromo-4-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole (PubChem CID 23435665) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 4-(2-bromo-4-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name4-(2-bromo-4-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole
PubChem CID23435665
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name4-(2-bromo-4-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole
SMILESCc1onc(-c2ccccc2)c1-c1ccnc(Br)c1
InChIInChI=1S/C15H11BrN2O/c1-10-14(12-7-8-17-13(16)9-12)15(18-19-10)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyQNLFDHPGXMUMJD-UHFFFAOYSA-N
XLogP4.47
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole?
The IUPAC name of 4-(2-bromo-4-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole (CID 23435665) is 4-(2-bromo-4-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole.
What is the SMILES notation for 4-(2-bromo-4-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole?
The canonical SMILES for 4-(2-bromo-4-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole is Cc1onc(-c2ccccc2)c1-c1ccnc(Br)c1.
What is the InChIKey of 4-(2-bromo-4-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole?
The InChIKey is QNLFDHPGXMUMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c1-10-14(12-7-8-17-13(16)9-12)15(18-19-10)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 4-(2-bromo-4-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole?
4-(2-bromo-4-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole has a molecular weight of 315.17 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole is sourced from PubChem (CID 23435665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).