2-[(3,5-dimethylphenyl)methyl]-5-[2-(2-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazole

C22H26N2O — CID 142316034

IUPAC2-[(3,5-dimethylphenyl)methyl]-5-[2-(2-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazole
SMILESCc1cc(C)cc(Cc2nnc(CCc3ccccc3C(C)C)o2)c1
InChIInChI=1S/C22H26N2O/c1-15(2)20-8-6-5-7-19(20)9-10-21-23-24-22(25-21)14-18-12-16(3)11-17(4)13-18/h5-8,11-13,15H,9-10,14H2,1-4H3
InChIKeyDGCBDIOHSLRLNU-UHFFFAOYSA-N
MW334.46 g/mol
LogP5.19
Rot. Bonds6

About 2-[(3,5-dimethylphenyl)methyl]-5-[2-(2-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazole

2-[(3,5-dimethylphenyl)methyl]-5-[2-(2-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazole (PubChem CID 142316034) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-[(3,5-dimethylphenyl)methyl]-5-[2-(2-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3,5-dimethylphenyl)methyl]-5-[2-(2-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazole
PubChem CID142316034
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name2-[(3,5-dimethylphenyl)methyl]-5-[2-(2-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazole
SMILESCc1cc(C)cc(Cc2nnc(CCc3ccccc3C(C)C)o2)c1
InChIInChI=1S/C22H26N2O/c1-15(2)20-8-6-5-7-19(20)9-10-21-23-24-22(25-21)14-18-12-16(3)11-17(4)13-18/h5-8,11-13,15H,9-10,14H2,1-4H3
InChIKeyDGCBDIOHSLRLNU-UHFFFAOYSA-N
XLogP5.19
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylphenyl)methyl]-5-[2-(2-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(3,5-dimethylphenyl)methyl]-5-[2-(2-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazole (CID 142316034) is 2-[(3,5-dimethylphenyl)methyl]-5-[2-(2-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3,5-dimethylphenyl)methyl]-5-[2-(2-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3,5-dimethylphenyl)methyl]-5-[2-(2-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazole is Cc1cc(C)cc(Cc2nnc(CCc3ccccc3C(C)C)o2)c1.
What is the InChIKey of 2-[(3,5-dimethylphenyl)methyl]-5-[2-(2-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazole?
The InChIKey is DGCBDIOHSLRLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-15(2)20-8-6-5-7-19(20)9-10-21-23-24-22(25-21)14-18-12-16(3)11-17(4)13-18/h5-8,11-13,15H,9-10,14H2,1-4H3.
What are the key properties of 2-[(3,5-dimethylphenyl)methyl]-5-[2-(2-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazole?
2-[(3,5-dimethylphenyl)methyl]-5-[2-(2-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazole has a molecular weight of 334.46 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylphenyl)methyl]-5-[2-(2-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 142316034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).