2-[2-fluoro-4-(2-propan-2-ylphenyl)phenyl]-5-(6-pyridin-2-yl-3-pyridinyl)-1,3,4-oxadiazole

C27H21FN4O — CID 177181316

IUPAC2-[2-fluoro-4-(2-propan-2-ylphenyl)phenyl]-5-(6-pyridin-2-yl-3-pyridinyl)-1,3,4-oxadiazole
SMILESCC(C)c1ccccc1-c1ccc(-c2nnc(-c3ccc(-c4ccccn4)nc3)o2)c(F)c1
InChIInChI=1S/C27H21FN4O/c1-17(2)20-7-3-4-8-21(20)18-10-12-22(23(28)15-18)27-32-31-26(33-27)19-11-13-25(30-16-19)24-9-5-6-14-29-24/h3-17H,1-2H3
InChIKeyFIHLNIPAWZKCCL-UHFFFAOYSA-N
MW436.49 g/mol
LogP6.79
Rot. Bonds5

About 2-[2-fluoro-4-(2-propan-2-ylphenyl)phenyl]-5-(6-pyridin-2-yl-3-pyridinyl)-1,3,4-oxadiazole

2-[2-fluoro-4-(2-propan-2-ylphenyl)phenyl]-5-(6-pyridin-2-yl-3-pyridinyl)-1,3,4-oxadiazole (PubChem CID 177181316) has the molecular formula C27H21FN4O and a molecular weight of 436.49 g/mol. Its IUPAC name is 2-[2-fluoro-4-(2-propan-2-ylphenyl)phenyl]-5-(6-pyridin-2-yl-3-pyridinyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-fluoro-4-(2-propan-2-ylphenyl)phenyl]-5-(6-pyridin-2-yl-3-pyridinyl)-1,3,4-oxadiazole
PubChem CID177181316
Molecular FormulaC27H21FN4O
Molecular Weight436.49 g/mol
Exact Mass436.17
IUPAC Name2-[2-fluoro-4-(2-propan-2-ylphenyl)phenyl]-5-(6-pyridin-2-yl-3-pyridinyl)-1,3,4-oxadiazole
SMILESCC(C)c1ccccc1-c1ccc(-c2nnc(-c3ccc(-c4ccccn4)nc3)o2)c(F)c1
InChIInChI=1S/C27H21FN4O/c1-17(2)20-7-3-4-8-21(20)18-10-12-22(23(28)15-18)27-32-31-26(33-27)19-11-13-25(30-16-19)24-9-5-6-14-29-24/h3-17H,1-2H3
InChIKeyFIHLNIPAWZKCCL-UHFFFAOYSA-N
XLogP6.79
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.49
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-fluoro-4-(2-propan-2-ylphenyl)phenyl]-5-(6-pyridin-2-yl-3-pyridinyl)-1,3,4-oxadiazole with MolForge

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Related Compounds

2-(2-propan-2-ylphenyl)pyridine
CID 55253137
2-(4-fluoro-2-propan-2-ylphenyl)pyridine
CID 143485897
2-(2-fluorophenyl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole
CID 99962720
4-(2,4-difluorophenyl)-2-pyridin-2-ylpyridine
CID 102085632
2-(2,4-difluorophenyl)-3-propan-2-ylpyridine
CID 58439278
2-(2-methylphenyl)-5-pyridin-2-yl-1,3,4-oxadiazole
CID 15957151
2-(6-pyridin-2-yl-2-pyridinyl)-5-[4-[5-(6-pyridin-2-yl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 59236802
2-(2-fluorophenyl)-5-[4-(2-methylpropoxy)phenyl]-1,3,4-oxadiazole
CID 863664
bis(1,2-di(propan-2-yl)benzene);1-[3,4-di(propan-2-yl)phenyl]-2,4-difluorobenzene
CID 159499603
2-[2,6-di(propan-2-yl)phenyl]pyridine
CID 141394538
2-(2,4-difluorophenyl)-5-(6-imidazol-1-yl-3-pyridinyl)-1,3,4-oxadiazole
CID 53183274
2-(4-methylpyrimidin-5-yl)-5-pyridin-2-yl-1,3,4-oxadiazole
CID 99962926

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(2-propan-2-ylphenyl)phenyl]-5-(6-pyridin-2-yl-3-pyridinyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[2-fluoro-4-(2-propan-2-ylphenyl)phenyl]-5-(6-pyridin-2-yl-3-pyridinyl)-1,3,4-oxadiazole (CID 177181316) is 2-[2-fluoro-4-(2-propan-2-ylphenyl)phenyl]-5-(6-pyridin-2-yl-3-pyridinyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-fluoro-4-(2-propan-2-ylphenyl)phenyl]-5-(6-pyridin-2-yl-3-pyridinyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-fluoro-4-(2-propan-2-ylphenyl)phenyl]-5-(6-pyridin-2-yl-3-pyridinyl)-1,3,4-oxadiazole is CC(C)c1ccccc1-c1ccc(-c2nnc(-c3ccc(-c4ccccn4)nc3)o2)c(F)c1.
What is the InChIKey of 2-[2-fluoro-4-(2-propan-2-ylphenyl)phenyl]-5-(6-pyridin-2-yl-3-pyridinyl)-1,3,4-oxadiazole?
The InChIKey is FIHLNIPAWZKCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN4O/c1-17(2)20-7-3-4-8-21(20)18-10-12-22(23(28)15-18)27-32-31-26(33-27)19-11-13-25(30-16-19)24-9-5-6-14-29-24/h3-17H,1-2H3.
What are the key properties of 2-[2-fluoro-4-(2-propan-2-ylphenyl)phenyl]-5-(6-pyridin-2-yl-3-pyridinyl)-1,3,4-oxadiazole?
2-[2-fluoro-4-(2-propan-2-ylphenyl)phenyl]-5-(6-pyridin-2-yl-3-pyridinyl)-1,3,4-oxadiazole has a molecular weight of 436.49 g/mol, XLogP of 6.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(2-propan-2-ylphenyl)phenyl]-5-(6-pyridin-2-yl-3-pyridinyl)-1,3,4-oxadiazole is sourced from PubChem (CID 177181316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).