2-phenyl-1,3-oxazole;1-phenylpyrazole;2-phenylpyridine

C29H24N4O — CID 69189734

IUPAC2-phenyl-1,3-oxazole;1-phenylpyrazole;2-phenylpyridine
SMILESc1ccc(-c2ccccn2)cc1.c1ccc(-c2ncco2)cc1.c1ccc(-n2cccn2)cc1
InChIInChI=1S/C11H9N.C9H8N2.C9H7NO/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-5-9(6-3-1)11-8-4-7-10-11;1-2-4-8(5-3-1)9-10-6-7-11-9/h1-9H;1-8H;1-7H
InChIKeyYCENCQYQXYXQKQ-UHFFFAOYSA-N
MW444.54 g/mol
LogP6.96
Rot. Bonds3

About 2-phenyl-1,3-oxazole;1-phenylpyrazole;2-phenylpyridine

2-phenyl-1,3-oxazole;1-phenylpyrazole;2-phenylpyridine (PubChem CID 69189734) has the molecular formula C29H24N4O and a molecular weight of 444.54 g/mol. Its IUPAC name is 2-phenyl-1,3-oxazole;1-phenylpyrazole;2-phenylpyridine.

Molecular Properties

Compound Name2-phenyl-1,3-oxazole;1-phenylpyrazole;2-phenylpyridine
PubChem CID69189734
Molecular FormulaC29H24N4O
Molecular Weight444.54 g/mol
Exact Mass444.20
IUPAC Name2-phenyl-1,3-oxazole;1-phenylpyrazole;2-phenylpyridine
SMILESc1ccc(-c2ccccn2)cc1.c1ccc(-c2ncco2)cc1.c1ccc(-n2cccn2)cc1
InChIInChI=1S/C11H9N.C9H8N2.C9H7NO/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-5-9(6-3-1)11-8-4-7-10-11;1-2-4-8(5-3-1)9-10-6-7-11-9/h1-9H;1-8H;1-7H
InChIKeyYCENCQYQXYXQKQ-UHFFFAOYSA-N
XLogP6.96
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.54
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,3-oxazole;1-phenylpyrazole;2-phenylpyridine?
The IUPAC name of 2-phenyl-1,3-oxazole;1-phenylpyrazole;2-phenylpyridine (CID 69189734) is 2-phenyl-1,3-oxazole;1-phenylpyrazole;2-phenylpyridine.
What is the SMILES notation for 2-phenyl-1,3-oxazole;1-phenylpyrazole;2-phenylpyridine?
The canonical SMILES for 2-phenyl-1,3-oxazole;1-phenylpyrazole;2-phenylpyridine is c1ccc(-c2ccccn2)cc1.c1ccc(-c2ncco2)cc1.c1ccc(-n2cccn2)cc1.
What is the InChIKey of 2-phenyl-1,3-oxazole;1-phenylpyrazole;2-phenylpyridine?
The InChIKey is YCENCQYQXYXQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N.C9H8N2.C9H7NO/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-5-9(6-3-1)11-8-4-7-10-11;1-2-4-8(5-3-1)9-10-6-7-11-9/h1-9H;1-8H;1-7H.
What are the key properties of 2-phenyl-1,3-oxazole;1-phenylpyrazole;2-phenylpyridine?
2-phenyl-1,3-oxazole;1-phenylpyrazole;2-phenylpyridine has a molecular weight of 444.54 g/mol, XLogP of 6.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,3-oxazole;1-phenylpyrazole;2-phenylpyridine is sourced from PubChem (CID 69189734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).