3-anthracen-9-yl-1,2-oxazole

C17H11NO — CID 154733107

IUPAC3-anthracen-9-yl-1,2-oxazole
SMILESc1ccc2c(-c3ccon3)c3ccccc3cc2c1
InChIInChI=1S/C17H11NO/c1-3-7-14-12(5-1)11-13-6-2-4-8-15(13)17(14)16-9-10-19-18-16/h1-11H
InChIKeySMULQCBBZMLSTB-UHFFFAOYSA-N
MW245.28 g/mol
LogP4.65
Rot. Bonds1

About 3-anthracen-9-yl-1,2-oxazole

3-anthracen-9-yl-1,2-oxazole (PubChem CID 154733107) has the molecular formula C17H11NO and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-anthracen-9-yl-1,2-oxazole.

Molecular Properties

Compound Name3-anthracen-9-yl-1,2-oxazole
PubChem CID154733107
Molecular FormulaC17H11NO
Molecular Weight245.28 g/mol
Exact Mass245.08
IUPAC Name3-anthracen-9-yl-1,2-oxazole
SMILESc1ccc2c(-c3ccon3)c3ccccc3cc2c1
InChIInChI=1S/C17H11NO/c1-3-7-14-12(5-1)11-13-6-2-4-8-15(13)17(14)16-9-10-19-18-16/h1-11H
InChIKeySMULQCBBZMLSTB-UHFFFAOYSA-N
XLogP4.65
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-anthracen-9-yl-1,2-oxazole?
The IUPAC name of 3-anthracen-9-yl-1,2-oxazole (CID 154733107) is 3-anthracen-9-yl-1,2-oxazole.
What is the SMILES notation for 3-anthracen-9-yl-1,2-oxazole?
The canonical SMILES for 3-anthracen-9-yl-1,2-oxazole is c1ccc2c(-c3ccon3)c3ccccc3cc2c1.
What is the InChIKey of 3-anthracen-9-yl-1,2-oxazole?
The InChIKey is SMULQCBBZMLSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO/c1-3-7-14-12(5-1)11-13-6-2-4-8-15(13)17(14)16-9-10-19-18-16/h1-11H.
What are the key properties of 3-anthracen-9-yl-1,2-oxazole?
3-anthracen-9-yl-1,2-oxazole has a molecular weight of 245.28 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anthracen-9-yl-1,2-oxazole is sourced from PubChem (CID 154733107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).