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

C25H24N2O2 — CID 176625799

IUPAC5-methyl-3-[3-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]-1,2,4-oxadiazole
SMILESCc1ccc(C(C)(C)c2ccc(Oc3cccc(-c4noc(C)n4)c3)cc2)cc1
InChIInChI=1S/C25H24N2O2/c1-17-8-10-20(11-9-17)25(3,4)21-12-14-22(15-13-21)28-23-7-5-6-19(16-23)24-26-18(2)29-27-24/h5-16H,1-4H3
InChIKeyOSKRJZRFXMRZTH-UHFFFAOYSA-N
MW384.48 g/mol
LogP6.47
Rot. Bonds5

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

5-methyl-3-[3-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]-1,2,4-oxadiazole (PubChem CID 176625799) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 5-methyl-3-[3-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[3-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]-1,2,4-oxadiazole
PubChem CID176625799
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name5-methyl-3-[3-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]-1,2,4-oxadiazole
SMILESCc1ccc(C(C)(C)c2ccc(Oc3cccc(-c4noc(C)n4)c3)cc2)cc1
InChIInChI=1S/C25H24N2O2/c1-17-8-10-20(11-9-17)25(3,4)21-12-14-22(15-13-21)28-23-7-5-6-19(16-23)24-26-18(2)29-27-24/h5-16H,1-4H3
InChIKeyOSKRJZRFXMRZTH-UHFFFAOYSA-N
XLogP6.47
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-3-[3-(4-nitrophenoxy)phenyl]-1,2,4-oxadiazole
CID 15429346
5-methyl-3-[6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-4-yl]-1,2,4-oxadiazole
CID 176625695
5-methyl-3-[3-(4-methyl-3-nitrophenoxy)phenyl]-1,2,4-oxadiazole
CID 70086748
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-[3-[3-(4-chlorophenoxy)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole
CID 166185984
3-[3-[5-[3,5-bis[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methyl-1,2,4-oxadiazole
CID 67475214
3-methyl-5-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyridinyl]-1,2,4-oxadiazole
CID 176626392
3-[3-(2,2-dimethylpropyl)phenyl]-5-methyl-1,2,4-oxadiazole
CID 58044592
3-(3-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 46342235
5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-benzofuran-1,3-dione
CID 20688254
N-[2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[3-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[3-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]-1,2,4-oxadiazole (CID 176625799) is 5-methyl-3-[3-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[3-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[3-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]-1,2,4-oxadiazole is Cc1ccc(C(C)(C)c2ccc(Oc3cccc(-c4noc(C)n4)c3)cc2)cc1.
What is the InChIKey of 5-methyl-3-[3-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]-1,2,4-oxadiazole?
The InChIKey is OSKRJZRFXMRZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-17-8-10-20(11-9-17)25(3,4)21-12-14-22(15-13-21)28-23-7-5-6-19(16-23)24-26-18(2)29-27-24/h5-16H,1-4H3.
What are the key properties of 5-methyl-3-[3-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]-1,2,4-oxadiazole?
5-methyl-3-[3-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]-1,2,4-oxadiazole has a molecular weight of 384.48 g/mol, XLogP of 6.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[3-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 176625799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).