3-methyl-5-[6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-1,2,4-oxadiazole

C24H23N3O2 — CID 176626320

IUPAC3-methyl-5-[6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-1,2,4-oxadiazole
SMILESCc1ccc(C(C)(C)c2ccc(Oc3cccc(-c4nc(C)no4)n3)cc2)cc1
InChIInChI=1S/C24H23N3O2/c1-16-8-10-18(11-9-16)24(3,4)19-12-14-20(15-13-19)28-22-7-5-6-21(26-22)23-25-17(2)27-29-23/h5-15H,1-4H3
InChIKeyWSLGAGBTHNLHFI-UHFFFAOYSA-N
MW385.47 g/mol
LogP5.87
Rot. Bonds5

About 3-methyl-5-[6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-1,2,4-oxadiazole

3-methyl-5-[6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-1,2,4-oxadiazole (PubChem CID 176626320) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 3-methyl-5-[6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-1,2,4-oxadiazole
PubChem CID176626320
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name3-methyl-5-[6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-1,2,4-oxadiazole
SMILESCc1ccc(C(C)(C)c2ccc(Oc3cccc(-c4nc(C)no4)n3)cc2)cc1
InChIInChI=1S/C24H23N3O2/c1-16-8-10-18(11-9-16)24(3,4)19-12-14-20(15-13-19)28-22-7-5-6-21(26-22)23-25-17(2)27-29-23/h5-15H,1-4H3
InChIKeyWSLGAGBTHNLHFI-UHFFFAOYSA-N
XLogP5.87
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methyl-5-[6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-methyl-5-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-1,2,4-oxadiazole
CID 176626392
5-methyl-3-[6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-4-yl]-1,2,4-oxadiazole
CID 176625695
2-methyl-6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrazine
CID 176625736
5-methyl-3-[3-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]-1,2,4-oxadiazole
CID 176625799
1-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-2-yl]ethanone
CID 176625530
1-(4-methylphenoxy)-4-[4-[4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]phenoxy]benzene
CID 159990763
1,3,5-tris[4-[4-[2-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]phenoxy]benzene
CID 102304470
3-[4-(4-methylphenoxy)phenyl]-5-pyridin-2-yl-1,2,4-oxadiazole
CID 53103262
4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]benzenethiol
CID 142069246
[6-(4-methylphenoxy)-2-pyridinyl]methanol
CID 62253967
5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-benzofuran-1,3-dione
CID 20688254
1-methyl-4-[4-[2-[4-(3-methylpentan-3-yl)phenyl]propan-2-yl]phenoxy]benzene
CID 163745611

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-1,2,4-oxadiazole (CID 176626320) is 3-methyl-5-[6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-1,2,4-oxadiazole is Cc1ccc(C(C)(C)c2ccc(Oc3cccc(-c4nc(C)no4)n3)cc2)cc1.
What is the InChIKey of 3-methyl-5-[6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is WSLGAGBTHNLHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-16-8-10-18(11-9-16)24(3,4)19-12-14-20(15-13-19)28-22-7-5-6-21(26-22)23-25-17(2)27-29-23/h5-15H,1-4H3.
What are the key properties of 3-methyl-5-[6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-1,2,4-oxadiazole?
3-methyl-5-[6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 385.47 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 176626320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).