3-methyl-4-(4-methylphenyl)-2H-1,3-oxazole

C11H13NO — CID 54463585

IUPAC3-methyl-4-(4-methylphenyl)-2H-1,3-oxazole
SMILESCc1ccc(C2=COCN2C)cc1
InChIInChI=1S/C11H13NO/c1-9-3-5-10(6-4-9)11-7-13-8-12(11)2/h3-7H,8H2,1-2H3
InChIKeyQCIJYGLAMKNCRZ-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.21
Rot. Bonds1

About 3-methyl-4-(4-methylphenyl)-2H-1,3-oxazole

3-methyl-4-(4-methylphenyl)-2H-1,3-oxazole (PubChem CID 54463585) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-methyl-4-(4-methylphenyl)-2H-1,3-oxazole.

Molecular Properties

Compound Name3-methyl-4-(4-methylphenyl)-2H-1,3-oxazole
PubChem CID54463585
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name3-methyl-4-(4-methylphenyl)-2H-1,3-oxazole
SMILESCc1ccc(C2=COCN2C)cc1
InChIInChI=1S/C11H13NO/c1-9-3-5-10(6-4-9)11-7-13-8-12(11)2/h3-7H,8H2,1-2H3
InChIKeyQCIJYGLAMKNCRZ-UHFFFAOYSA-N
XLogP2.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(4-methylphenyl)-2H-1,3-oxazole?
The IUPAC name of 3-methyl-4-(4-methylphenyl)-2H-1,3-oxazole (CID 54463585) is 3-methyl-4-(4-methylphenyl)-2H-1,3-oxazole.
What is the SMILES notation for 3-methyl-4-(4-methylphenyl)-2H-1,3-oxazole?
The canonical SMILES for 3-methyl-4-(4-methylphenyl)-2H-1,3-oxazole is Cc1ccc(C2=COCN2C)cc1.
What is the InChIKey of 3-methyl-4-(4-methylphenyl)-2H-1,3-oxazole?
The InChIKey is QCIJYGLAMKNCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-9-3-5-10(6-4-9)11-7-13-8-12(11)2/h3-7H,8H2,1-2H3.
What are the key properties of 3-methyl-4-(4-methylphenyl)-2H-1,3-oxazole?
3-methyl-4-(4-methylphenyl)-2H-1,3-oxazole has a molecular weight of 175.23 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(4-methylphenyl)-2H-1,3-oxazole is sourced from PubChem (CID 54463585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).