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

C12H16N2O — CID 10703386

IUPAC3-(4-methylphenyl)-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole
SMILESCc1ccc(C2=NC(C(C)C)ON2)cc1
InChIInChI=1S/C12H16N2O/c1-8(2)12-13-11(14-15-12)10-6-4-9(3)5-7-10/h4-8,12H,1-3H3,(H,13,14)
InChIKeyKFGYWMCGHXESRK-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.26
Rot. Bonds2

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

3-(4-methylphenyl)-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole (PubChem CID 10703386) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole
PubChem CID10703386
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-(4-methylphenyl)-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole
SMILESCc1ccc(C2=NC(C(C)C)ON2)cc1
InChIInChI=1S/C12H16N2O/c1-8(2)12-13-11(14-15-12)10-6-4-9(3)5-7-10/h4-8,12H,1-3H3,(H,13,14)
InChIKeyKFGYWMCGHXESRK-UHFFFAOYSA-N
XLogP2.26
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methylphenyl)-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole (CID 10703386) is 3-(4-methylphenyl)-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methylphenyl)-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methylphenyl)-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole is Cc1ccc(C2=NC(C(C)C)ON2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole?
The InChIKey is KFGYWMCGHXESRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8(2)12-13-11(14-15-12)10-6-4-9(3)5-7-10/h4-8,12H,1-3H3,(H,13,14).
What are the key properties of 3-(4-methylphenyl)-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole?
3-(4-methylphenyl)-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole has a molecular weight of 204.27 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-propan-2-yl-2,5-dihydro-1,2,4-oxadiazole is sourced from PubChem (CID 10703386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).