2-(1,10-phenanthrolin-2-yl)-4,5-dihydro-1,3-oxazole

C15H11N3O — CID 102035741

IUPAC2-(1,10-phenanthrolin-2-yl)-4,5-dihydro-1,3-oxazole
SMILESc1cnc2c(c1)ccc1ccc(C3=NCCO3)nc12
InChIInChI=1S/C15H11N3O/c1-2-10-3-4-11-5-6-12(15-17-8-9-19-15)18-14(11)13(10)16-7-1/h1-7H,8-9H2
InChIKeyHUQPNZBBSPLGLR-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.56
Rot. Bonds1

About 2-(1,10-phenanthrolin-2-yl)-4,5-dihydro-1,3-oxazole

2-(1,10-phenanthrolin-2-yl)-4,5-dihydro-1,3-oxazole (PubChem CID 102035741) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-(1,10-phenanthrolin-2-yl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(1,10-phenanthrolin-2-yl)-4,5-dihydro-1,3-oxazole
PubChem CID102035741
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name2-(1,10-phenanthrolin-2-yl)-4,5-dihydro-1,3-oxazole
SMILESc1cnc2c(c1)ccc1ccc(C3=NCCO3)nc12
InChIInChI=1S/C15H11N3O/c1-2-10-3-4-11-5-6-12(15-17-8-9-19-15)18-14(11)13(10)16-7-1/h1-7H,8-9H2
InChIKeyHUQPNZBBSPLGLR-UHFFFAOYSA-N
XLogP2.56
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-(1,10-phenanthrolin-2-yl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(1,10-phenanthrolin-2-yl)-4,5-dihydro-1,3-oxazole (CID 102035741) is 2-(1,10-phenanthrolin-2-yl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(1,10-phenanthrolin-2-yl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(1,10-phenanthrolin-2-yl)-4,5-dihydro-1,3-oxazole is c1cnc2c(c1)ccc1ccc(C3=NCCO3)nc12.
What is the InChIKey of 2-(1,10-phenanthrolin-2-yl)-4,5-dihydro-1,3-oxazole?
The InChIKey is HUQPNZBBSPLGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c1-2-10-3-4-11-5-6-12(15-17-8-9-19-15)18-14(11)13(10)16-7-1/h1-7H,8-9H2.
What are the key properties of 2-(1,10-phenanthrolin-2-yl)-4,5-dihydro-1,3-oxazole?
2-(1,10-phenanthrolin-2-yl)-4,5-dihydro-1,3-oxazole has a molecular weight of 249.27 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,10-phenanthrolin-2-yl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 102035741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).