1,3-oxazole;1,7-phenanthroline

C15H11N3O — CID 174972077

IUPAC1,3-oxazole;1,7-phenanthroline
SMILESc1cnc2c(c1)ccc1ncccc12.c1cocn1
InChIInChI=1S/C12H8N2.C3H3NO/c1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1;1-2-5-3-4-1/h1-8H;1-3H
InChIKeyVDADMNOUGRYELS-UHFFFAOYSA-N
MW249.27 g/mol
LogP3.46
Rot. Bonds

About 1,3-oxazole;1,7-phenanthroline

1,3-oxazole;1,7-phenanthroline (PubChem CID 174972077) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 1,3-oxazole;1,7-phenanthroline.

Molecular Properties

Compound Name1,3-oxazole;1,7-phenanthroline
PubChem CID174972077
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name1,3-oxazole;1,7-phenanthroline
SMILESc1cnc2c(c1)ccc1ncccc12.c1cocn1
InChIInChI=1S/C12H8N2.C3H3NO/c1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1;1-2-5-3-4-1/h1-8H;1-3H
InChIKeyVDADMNOUGRYELS-UHFFFAOYSA-N
XLogP3.46
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.46
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 1,3-oxazole;1,7-phenanthroline?
The IUPAC name of 1,3-oxazole;1,7-phenanthroline (CID 174972077) is 1,3-oxazole;1,7-phenanthroline.
What is the SMILES notation for 1,3-oxazole;1,7-phenanthroline?
The canonical SMILES for 1,3-oxazole;1,7-phenanthroline is c1cnc2c(c1)ccc1ncccc12.c1cocn1.
What is the InChIKey of 1,3-oxazole;1,7-phenanthroline?
The InChIKey is VDADMNOUGRYELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2.C3H3NO/c1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1;1-2-5-3-4-1/h1-8H;1-3H.
What are the key properties of 1,3-oxazole;1,7-phenanthroline?
1,3-oxazole;1,7-phenanthroline has a molecular weight of 249.27 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazole;1,7-phenanthroline is sourced from PubChem (CID 174972077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).