2-[3-fluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-5-methyl-1,3,4-oxadiazole

C24H22FN3O2 — CID 176625929

IUPAC2-[3-fluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1ccc(C(C)(C)c2ccc(Oc3ccnc(-c4nnc(C)o4)c3F)cc2)cc1
InChIInChI=1S/C24H22FN3O2/c1-15-5-7-17(8-6-15)24(3,4)18-9-11-19(12-10-18)30-20-13-14-26-22(21(20)25)23-28-27-16(2)29-23/h5-14H,1-4H3
InChIKeySLZKZERUQKAGIN-UHFFFAOYSA-N
MW403.46 g/mol
LogP6.01
Rot. Bonds5

About 2-[3-fluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-5-methyl-1,3,4-oxadiazole

2-[3-fluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 176625929) has the molecular formula C24H22FN3O2 and a molecular weight of 403.46 g/mol. Its IUPAC name is 2-[3-fluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3-fluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-5-methyl-1,3,4-oxadiazole
PubChem CID176625929
Molecular FormulaC24H22FN3O2
Molecular Weight403.46 g/mol
Exact Mass403.17
IUPAC Name2-[3-fluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1ccc(C(C)(C)c2ccc(Oc3ccnc(-c4nnc(C)o4)c3F)cc2)cc1
InChIInChI=1S/C24H22FN3O2/c1-15-5-7-17(8-6-15)24(3,4)18-9-11-19(12-10-18)30-20-13-14-26-22(21(20)25)23-28-27-16(2)29-23/h5-14H,1-4H3
InChIKeySLZKZERUQKAGIN-UHFFFAOYSA-N
XLogP6.01
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.46
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[3-fluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-5-methyl-1,3,4-oxadiazole (CID 176625929) is 2-[3-fluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3-fluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[3-fluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-5-methyl-1,3,4-oxadiazole is Cc1ccc(C(C)(C)c2ccc(Oc3ccnc(-c4nnc(C)o4)c3F)cc2)cc1.
What is the InChIKey of 2-[3-fluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is SLZKZERUQKAGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2/c1-15-5-7-17(8-6-15)24(3,4)18-9-11-19(12-10-18)30-20-13-14-26-22(21(20)25)23-28-27-16(2)29-23/h5-14H,1-4H3.
What are the key properties of 2-[3-fluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-5-methyl-1,3,4-oxadiazole?
2-[3-fluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 403.46 g/mol, XLogP of 6.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 176625929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).