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

C12H14N2O2 — CID 56668736

IUPAC3-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc(C(C)C)n1
InChIInChI=1S/C12H14N2O2/c1-8(2)12-13-11(14-16-12)9-6-4-5-7-10(9)15-3/h4-8H,1-3H3
InChIKeyDCJBUYSTJHEPPY-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.87
Rot. Bonds3

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

3-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-oxadiazole (PubChem CID 56668736) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-oxadiazole
PubChem CID56668736
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc(C(C)C)n1
InChIInChI=1S/C12H14N2O2/c1-8(2)12-13-11(14-16-12)9-6-4-5-7-10(9)15-3/h4-8H,1-3H3
InChIKeyDCJBUYSTJHEPPY-UHFFFAOYSA-N
XLogP2.87
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-oxadiazole (CID 56668736) is 3-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-oxadiazole is COc1ccccc1-c1noc(C(C)C)n1.
What is the InChIKey of 3-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is DCJBUYSTJHEPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8(2)12-13-11(14-16-12)9-6-4-5-7-10(9)15-3/h4-8H,1-3H3.
What are the key properties of 3-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-oxadiazole?
3-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 218.26 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-5-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 56668736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).