2-(1,10-phenanthrolin-2-yl)-1,3,4-oxadiazole

C14H8N4O — CID 169409416

IUPAC2-(1,10-phenanthrolin-2-yl)-1,3,4-oxadiazole
SMILESc1cnc2c(c1)ccc1ccc(-c3nnco3)nc12
InChIInChI=1S/C14H8N4O/c1-2-9-3-4-10-5-6-11(14-18-16-8-19-14)17-13(10)12(9)15-7-1/h1-8H
InChIKeyKHEWJUCBJNTJQW-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.83
Rot. Bonds1

About 2-(1,10-phenanthrolin-2-yl)-1,3,4-oxadiazole

2-(1,10-phenanthrolin-2-yl)-1,3,4-oxadiazole (PubChem CID 169409416) has the molecular formula C14H8N4O and a molecular weight of 248.25 g/mol. Its IUPAC name is 2-(1,10-phenanthrolin-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1,10-phenanthrolin-2-yl)-1,3,4-oxadiazole
PubChem CID169409416
Molecular FormulaC14H8N4O
Molecular Weight248.25 g/mol
Exact Mass248.07
IUPAC Name2-(1,10-phenanthrolin-2-yl)-1,3,4-oxadiazole
SMILESc1cnc2c(c1)ccc1ccc(-c3nnco3)nc12
InChIInChI=1S/C14H8N4O/c1-2-9-3-4-10-5-6-11(14-18-16-8-19-14)17-13(10)12(9)15-7-1/h1-8H
InChIKeyKHEWJUCBJNTJQW-UHFFFAOYSA-N
XLogP2.83
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(1,10-phenanthroline);dihydrobromide
CID 70430219
1,10-phenanthroline;samarium
CID 174616745
osmium;tris(1,10-phenanthroline)
CID 14251798
iridium(3+);1,10-phenanthroline
CID 175702049
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
2-(4-bromophenyl)-1,10-phenanthroline
CID 160537986
4,6-bis(1,10-phenanthrolin-2-yl)benzene-1,3-dicarboxylic acid
CID 118448774
5-methyl-2-(1,10-phenanthrolin-2-yl)-1,3-benzoxazole
CID 102035737
2-(1H-indazol-3-yl)-1,10-phenanthroline
CID 71243200
2-naphthalen-1-yl-9-quinolin-8-yl-1,10-phenanthroline
CID 134167279

Frequently Asked Questions

What is the IUPAC name of 2-(1,10-phenanthrolin-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1,10-phenanthrolin-2-yl)-1,3,4-oxadiazole (CID 169409416) is 2-(1,10-phenanthrolin-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1,10-phenanthrolin-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1,10-phenanthrolin-2-yl)-1,3,4-oxadiazole is c1cnc2c(c1)ccc1ccc(-c3nnco3)nc12.
What is the InChIKey of 2-(1,10-phenanthrolin-2-yl)-1,3,4-oxadiazole?
The InChIKey is KHEWJUCBJNTJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N4O/c1-2-9-3-4-10-5-6-11(14-18-16-8-19-14)17-13(10)12(9)15-7-1/h1-8H.
What are the key properties of 2-(1,10-phenanthrolin-2-yl)-1,3,4-oxadiazole?
2-(1,10-phenanthrolin-2-yl)-1,3,4-oxadiazole has a molecular weight of 248.25 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,10-phenanthrolin-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 169409416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).