5-methyl-3-(2-methylphenyl)-2,5-dihydro-1,2-oxazole

C11H13NO — CID 151137517

IUPAC5-methyl-3-(2-methylphenyl)-2,5-dihydro-1,2-oxazole
SMILESCc1ccccc1C1=CC(C)ON1
InChIInChI=1S/C11H13NO/c1-8-5-3-4-6-10(8)11-7-9(2)13-12-11/h3-7,9,12H,1-2H3
InChIKeyMVMSSKSJYYERFF-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.26
Rot. Bonds1

About 5-methyl-3-(2-methylphenyl)-2,5-dihydro-1,2-oxazole

5-methyl-3-(2-methylphenyl)-2,5-dihydro-1,2-oxazole (PubChem CID 151137517) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 5-methyl-3-(2-methylphenyl)-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-(2-methylphenyl)-2,5-dihydro-1,2-oxazole
PubChem CID151137517
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name5-methyl-3-(2-methylphenyl)-2,5-dihydro-1,2-oxazole
SMILESCc1ccccc1C1=CC(C)ON1
InChIInChI=1S/C11H13NO/c1-8-5-3-4-6-10(8)11-7-9(2)13-12-11/h3-7,9,12H,1-2H3
InChIKeyMVMSSKSJYYERFF-UHFFFAOYSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-methylphenyl)-2,5-dihydro-1,2-oxazole?
The IUPAC name of 5-methyl-3-(2-methylphenyl)-2,5-dihydro-1,2-oxazole (CID 151137517) is 5-methyl-3-(2-methylphenyl)-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-(2-methylphenyl)-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-methyl-3-(2-methylphenyl)-2,5-dihydro-1,2-oxazole is Cc1ccccc1C1=CC(C)ON1.
What is the InChIKey of 5-methyl-3-(2-methylphenyl)-2,5-dihydro-1,2-oxazole?
The InChIKey is MVMSSKSJYYERFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-8-5-3-4-6-10(8)11-7-9(2)13-12-11/h3-7,9,12H,1-2H3.
What are the key properties of 5-methyl-3-(2-methylphenyl)-2,5-dihydro-1,2-oxazole?
5-methyl-3-(2-methylphenyl)-2,5-dihydro-1,2-oxazole has a molecular weight of 175.23 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-methylphenyl)-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 151137517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).