pyrene;2-pyridin-2-yl-1,3-oxazole

C24H16N2O — CID 87191168

IUPACpyrene;2-pyridin-2-yl-1,3-oxazole
SMILESc1cc2ccc3cccc4ccc(c1)c2c34.c1ccc(-c2ncco2)nc1
InChIInChI=1S/C16H10.C8H6N2O/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;1-2-4-9-7(3-1)8-10-5-6-11-8/h1-10H;1-6H
InChIKeyFBPJHWMUGZDCNZ-UHFFFAOYSA-N
MW348.41 g/mol
LogP6.32
Rot. Bonds1

About pyrene;2-pyridin-2-yl-1,3-oxazole

pyrene;2-pyridin-2-yl-1,3-oxazole (PubChem CID 87191168) has the molecular formula C24H16N2O and a molecular weight of 348.41 g/mol. Its IUPAC name is pyrene;2-pyridin-2-yl-1,3-oxazole.

Molecular Properties

Compound Namepyrene;2-pyridin-2-yl-1,3-oxazole
PubChem CID87191168
Molecular FormulaC24H16N2O
Molecular Weight348.41 g/mol
Exact Mass348.13
IUPAC Namepyrene;2-pyridin-2-yl-1,3-oxazole
SMILESc1cc2ccc3cccc4ccc(c1)c2c34.c1ccc(-c2ncco2)nc1
InChIInChI=1S/C16H10.C8H6N2O/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;1-2-4-9-7(3-1)8-10-5-6-11-8/h1-10H;1-6H
InChIKeyFBPJHWMUGZDCNZ-UHFFFAOYSA-N
XLogP6.32
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.41
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyrene;2-pyridin-2-yl-1,3-oxazole?
The IUPAC name of pyrene;2-pyridin-2-yl-1,3-oxazole (CID 87191168) is pyrene;2-pyridin-2-yl-1,3-oxazole.
What is the SMILES notation for pyrene;2-pyridin-2-yl-1,3-oxazole?
The canonical SMILES for pyrene;2-pyridin-2-yl-1,3-oxazole is c1cc2ccc3cccc4ccc(c1)c2c34.c1ccc(-c2ncco2)nc1.
What is the InChIKey of pyrene;2-pyridin-2-yl-1,3-oxazole?
The InChIKey is FBPJHWMUGZDCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10.C8H6N2O/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;1-2-4-9-7(3-1)8-10-5-6-11-8/h1-10H;1-6H.
What are the key properties of pyrene;2-pyridin-2-yl-1,3-oxazole?
pyrene;2-pyridin-2-yl-1,3-oxazole has a molecular weight of 348.41 g/mol, XLogP of 6.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrene;2-pyridin-2-yl-1,3-oxazole is sourced from PubChem (CID 87191168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).