5-bromo-3-phenyl-[1,2]oxazolo[5,4-b]pyridine

C12H7BrN2O — CID 83913838

IUPAC5-bromo-3-phenyl-[1,2]oxazolo[5,4-b]pyridine
SMILESBrc1cnc2onc(-c3ccccc3)c2c1
InChIInChI=1S/C12H7BrN2O/c13-9-6-10-11(8-4-2-1-3-5-8)15-16-12(10)14-7-9/h1-7H
InChIKeyNPPQZCQLYJLQOQ-UHFFFAOYSA-N
MW275.11 g/mol
LogP3.65
Rot. Bonds1

About 5-bromo-3-phenyl-[1,2]oxazolo[5,4-b]pyridine

5-bromo-3-phenyl-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 83913838) has the molecular formula C12H7BrN2O and a molecular weight of 275.11 g/mol. Its IUPAC name is 5-bromo-3-phenyl-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-bromo-3-phenyl-[1,2]oxazolo[5,4-b]pyridine
PubChem CID83913838
Molecular FormulaC12H7BrN2O
Molecular Weight275.11 g/mol
Exact Mass273.97
IUPAC Name5-bromo-3-phenyl-[1,2]oxazolo[5,4-b]pyridine
SMILESBrc1cnc2onc(-c3ccccc3)c2c1
InChIInChI=1S/C12H7BrN2O/c13-9-6-10-11(8-4-2-1-3-5-8)15-16-12(10)14-7-9/h1-7H
InChIKeyNPPQZCQLYJLQOQ-UHFFFAOYSA-N
XLogP3.65
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.11
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
CID 16788564
3-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
CID 16790066
5-bromo-2-phenylpyrimidine
CID 14387745
5-bromo-1-ethyl-3-phenylpyrazolo[5,4-b]pyridine
CID 143347890
3-phenyl-1,2-benzoxazol-7-ol
CID 105464793
3-(4-methoxyphenyl)-5-phenyl-[1,2]oxazolo[5,4-c]pyridazine
CID 15040792
5-bromo-3-cyclopentyl-[1,2]oxazolo[5,4-b]pyridine
CID 83913442
5-bromo-3-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridine
CID 22477574
3-(1,2-benzoxazol-3-yl)-5-bromopyridine-2-sulfonamide
CID 164768982
methanamine;methane;3-phenyl-1,2-benzoxazole
CID 175235324
3,5-diphenyl-1,2-oxazol-4-amine
CID 15554723
4-(2-bromo-4-pyridinyl)-5-methyl-3-phenyl-1,2-oxazole
CID 23435665

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-phenyl-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 5-bromo-3-phenyl-[1,2]oxazolo[5,4-b]pyridine (CID 83913838) is 5-bromo-3-phenyl-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 5-bromo-3-phenyl-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 5-bromo-3-phenyl-[1,2]oxazolo[5,4-b]pyridine is Brc1cnc2onc(-c3ccccc3)c2c1.
What is the InChIKey of 5-bromo-3-phenyl-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is NPPQZCQLYJLQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN2O/c13-9-6-10-11(8-4-2-1-3-5-8)15-16-12(10)14-7-9/h1-7H.
What are the key properties of 5-bromo-3-phenyl-[1,2]oxazolo[5,4-b]pyridine?
5-bromo-3-phenyl-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 275.11 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-phenyl-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 83913838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).