3-(4-methylphenyl)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole

C14H14N4O2 — CID 75527952

IUPAC3-(4-methylphenyl)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(-c3nc(C(C)C)no3)n2)cc1
InChIInChI=1S/C14H14N4O2/c1-8(2)11-15-13(19-17-11)14-16-12(18-20-14)10-6-4-9(3)5-7-10/h4-8H,1-3H3
InChIKeyXDEADLJXMNRKRG-UHFFFAOYSA-N
MW270.29 g/mol
LogP3.22
Rot. Bonds3

About 3-(4-methylphenyl)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole

3-(4-methylphenyl)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole (PubChem CID 75527952) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
PubChem CID75527952
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name3-(4-methylphenyl)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(-c3nc(C(C)C)no3)n2)cc1
InChIInChI=1S/C14H14N4O2/c1-8(2)11-15-13(19-17-11)14-16-12(18-20-14)10-6-4-9(3)5-7-10/h4-8H,1-3H3
InChIKeyXDEADLJXMNRKRG-UHFFFAOYSA-N
XLogP3.22
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methylphenyl)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole (CID 75527952) is 3-(4-methylphenyl)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methylphenyl)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methylphenyl)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole is Cc1ccc(-c2noc(-c3nc(C(C)C)no3)n2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is XDEADLJXMNRKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-8(2)11-15-13(19-17-11)14-16-12(18-20-14)10-6-4-9(3)5-7-10/h4-8H,1-3H3.
What are the key properties of 3-(4-methylphenyl)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole?
3-(4-methylphenyl)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 270.29 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 75527952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).