3-(3-methoxy-5-methyl-4-propan-2-yloxyphenyl)-5-phenyl-1,2,4-oxadiazole

C19H20N2O3 — CID 71094125

IUPAC3-(3-methoxy-5-methyl-4-propan-2-yloxyphenyl)-5-phenyl-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(-c3ccccc3)n2)cc(C)c1OC(C)C
InChIInChI=1S/C19H20N2O3/c1-12(2)23-17-13(3)10-15(11-16(17)22-4)18-20-19(24-21-18)14-8-6-5-7-9-14/h5-12H,1-4H3
InChIKeyPFJJXIPXMCCXEQ-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.51
Rot. Bonds5

About 3-(3-methoxy-5-methyl-4-propan-2-yloxyphenyl)-5-phenyl-1,2,4-oxadiazole

3-(3-methoxy-5-methyl-4-propan-2-yloxyphenyl)-5-phenyl-1,2,4-oxadiazole (PubChem CID 71094125) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-(3-methoxy-5-methyl-4-propan-2-yloxyphenyl)-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methoxy-5-methyl-4-propan-2-yloxyphenyl)-5-phenyl-1,2,4-oxadiazole
PubChem CID71094125
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name3-(3-methoxy-5-methyl-4-propan-2-yloxyphenyl)-5-phenyl-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(-c3ccccc3)n2)cc(C)c1OC(C)C
InChIInChI=1S/C19H20N2O3/c1-12(2)23-17-13(3)10-15(11-16(17)22-4)18-20-19(24-21-18)14-8-6-5-7-9-14/h5-12H,1-4H3
InChIKeyPFJJXIPXMCCXEQ-UHFFFAOYSA-N
XLogP4.51
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-5-methyl-4-propan-2-yloxyphenyl)-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methoxy-5-methyl-4-propan-2-yloxyphenyl)-5-phenyl-1,2,4-oxadiazole (CID 71094125) is 3-(3-methoxy-5-methyl-4-propan-2-yloxyphenyl)-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methoxy-5-methyl-4-propan-2-yloxyphenyl)-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methoxy-5-methyl-4-propan-2-yloxyphenyl)-5-phenyl-1,2,4-oxadiazole is COc1cc(-c2noc(-c3ccccc3)n2)cc(C)c1OC(C)C.
What is the InChIKey of 3-(3-methoxy-5-methyl-4-propan-2-yloxyphenyl)-5-phenyl-1,2,4-oxadiazole?
The InChIKey is PFJJXIPXMCCXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12(2)23-17-13(3)10-15(11-16(17)22-4)18-20-19(24-21-18)14-8-6-5-7-9-14/h5-12H,1-4H3.
What are the key properties of 3-(3-methoxy-5-methyl-4-propan-2-yloxyphenyl)-5-phenyl-1,2,4-oxadiazole?
3-(3-methoxy-5-methyl-4-propan-2-yloxyphenyl)-5-phenyl-1,2,4-oxadiazole has a molecular weight of 324.38 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-5-methyl-4-propan-2-yloxyphenyl)-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 71094125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).