2-(4-fluoro-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole

C24H29FN2O — CID 56648793

IUPAC2-(4-fluoro-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole
SMILESCc1cc(-c2nnc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)o2)ccc1F
InChIInChI=1S/C24H29FN2O/c1-13(2)18-11-19(14(3)4)22(20(12-18)15(5)6)24-27-26-23(28-24)17-8-9-21(25)16(7)10-17/h8-15H,1-7H3
InChIKeyFKTFLGBXOPTKAU-UHFFFAOYSA-N
MW380.51 g/mol
LogP7.22
Rot. Bonds5

About 2-(4-fluoro-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole

2-(4-fluoro-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole (PubChem CID 56648793) has the molecular formula C24H29FN2O and a molecular weight of 380.51 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-fluoro-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole
PubChem CID56648793
Molecular FormulaC24H29FN2O
Molecular Weight380.51 g/mol
Exact Mass380.23
IUPAC Name2-(4-fluoro-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole
SMILESCc1cc(-c2nnc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)o2)ccc1F
InChIInChI=1S/C24H29FN2O/c1-13(2)18-11-19(14(3)4)22(20(12-18)15(5)6)24-27-26-23(28-24)17-8-9-21(25)16(7)10-17/h8-15H,1-7H3
InChIKeyFKTFLGBXOPTKAU-UHFFFAOYSA-N
XLogP7.22
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.51
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-fluoro-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole (CID 56648793) is 2-(4-fluoro-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-fluoro-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-fluoro-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole is Cc1cc(-c2nnc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)o2)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole?
The InChIKey is FKTFLGBXOPTKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O/c1-13(2)18-11-19(14(3)4)22(20(12-18)15(5)6)24-27-26-23(28-24)17-8-9-21(25)16(7)10-17/h8-15H,1-7H3.
What are the key properties of 2-(4-fluoro-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole?
2-(4-fluoro-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole has a molecular weight of 380.51 g/mol, XLogP of 7.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 56648793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).