3-(4-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole

C18H18N2O3 — CID 8779241

IUPAC3-(4-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3cccc(OC(C)C)c3)n2)cc1
InChIInChI=1S/C18H18N2O3/c1-12(2)22-16-6-4-5-14(11-16)18-19-17(20-23-18)13-7-9-15(21-3)10-8-13/h4-12H,1-3H3
InChIKeyAJQGCSORRJGVGG-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.20
Rot. Bonds5

About 3-(4-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole

3-(4-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole (PubChem CID 8779241) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole
PubChem CID8779241
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name3-(4-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3cccc(OC(C)C)c3)n2)cc1
InChIInChI=1S/C18H18N2O3/c1-12(2)22-16-6-4-5-14(11-16)18-19-17(20-23-18)13-7-9-15(21-3)10-8-13/h4-12H,1-3H3
InChIKeyAJQGCSORRJGVGG-UHFFFAOYSA-N
XLogP4.20
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole
CID 8779237
3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 6459125
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 44621438
3-(4-methoxyphenyl)-5-(3-nitrophenyl)-1,2,4-oxadiazole
CID 883697
2-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-phenylethanone
CID 83284781
3,5-dimethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 46266946
methyl 4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoate
CID 6461496
1-[(2R)-butan-2-yl]-3-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 92888694
3-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 102175113
[3-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 43839720
2,2-dimethyl-1-[5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62920689
1-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61326230

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole (CID 8779241) is 3-(4-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole is COc1ccc(-c2noc(-c3cccc(OC(C)C)c3)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole?
The InChIKey is AJQGCSORRJGVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12(2)22-16-6-4-5-14(11-16)18-19-17(20-23-18)13-7-9-15(21-3)10-8-13/h4-12H,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole?
3-(4-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole has a molecular weight of 310.35 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 8779241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).