1,3-oxazole;1,10-phenanthroline;pyrazine

C19H15N5O — CID 174721121

IUPAC1,3-oxazole;1,10-phenanthroline;pyrazine
SMILESc1cnc2c(c1)ccc1cccnc12.c1cnccn1.c1cocn1
InChIInChI=1S/C12H8N2.C4H4N2.C3H3NO/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2-6-4-3-5-1;1-2-5-3-4-1/h1-8H;1-4H;1-3H
InChIKeyNLWRRBQUYQPKDP-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.93
Rot. Bonds

About 1,3-oxazole;1,10-phenanthroline;pyrazine

1,3-oxazole;1,10-phenanthroline;pyrazine (PubChem CID 174721121) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 1,3-oxazole;1,10-phenanthroline;pyrazine.

Molecular Properties

Compound Name1,3-oxazole;1,10-phenanthroline;pyrazine
PubChem CID174721121
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name1,3-oxazole;1,10-phenanthroline;pyrazine
SMILESc1cnc2c(c1)ccc1cccnc12.c1cnccn1.c1cocn1
InChIInChI=1S/C12H8N2.C4H4N2.C3H3NO/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2-6-4-3-5-1;1-2-5-3-4-1/h1-8H;1-4H;1-3H
InChIKeyNLWRRBQUYQPKDP-UHFFFAOYSA-N
XLogP3.93
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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;1,10-phenanthroline;pyrazine?
The IUPAC name of 1,3-oxazole;1,10-phenanthroline;pyrazine (CID 174721121) is 1,3-oxazole;1,10-phenanthroline;pyrazine.
What is the SMILES notation for 1,3-oxazole;1,10-phenanthroline;pyrazine?
The canonical SMILES for 1,3-oxazole;1,10-phenanthroline;pyrazine is c1cnc2c(c1)ccc1cccnc12.c1cnccn1.c1cocn1.
What is the InChIKey of 1,3-oxazole;1,10-phenanthroline;pyrazine?
The InChIKey is NLWRRBQUYQPKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2.C4H4N2.C3H3NO/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2-6-4-3-5-1;1-2-5-3-4-1/h1-8H;1-4H;1-3H.
What are the key properties of 1,3-oxazole;1,10-phenanthroline;pyrazine?
1,3-oxazole;1,10-phenanthroline;pyrazine has a molecular weight of 329.36 g/mol, XLogP of 3.93, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazole;1,10-phenanthroline;pyrazine is sourced from PubChem (CID 174721121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).