5-methyl-4-(4-methylphenyl)-2-propan-2-yl-1,3-oxazole

C14H17NO — CID 45097413

IUPAC5-methyl-4-(4-methylphenyl)-2-propan-2-yl-1,3-oxazole
SMILESCc1ccc(-c2nc(C(C)C)oc2C)cc1
InChIInChI=1S/C14H17NO/c1-9(2)14-15-13(11(4)16-14)12-7-5-10(3)6-8-12/h5-9H,1-4H3
InChIKeyZVYCECDXXAZVNQ-UHFFFAOYSA-N
MW215.30 g/mol
LogP4.08
Rot. Bonds2

About 5-methyl-4-(4-methylphenyl)-2-propan-2-yl-1,3-oxazole

5-methyl-4-(4-methylphenyl)-2-propan-2-yl-1,3-oxazole (PubChem CID 45097413) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 5-methyl-4-(4-methylphenyl)-2-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-4-(4-methylphenyl)-2-propan-2-yl-1,3-oxazole
PubChem CID45097413
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name5-methyl-4-(4-methylphenyl)-2-propan-2-yl-1,3-oxazole
SMILESCc1ccc(-c2nc(C(C)C)oc2C)cc1
InChIInChI=1S/C14H17NO/c1-9(2)14-15-13(11(4)16-14)12-7-5-10(3)6-8-12/h5-9H,1-4H3
InChIKeyZVYCECDXXAZVNQ-UHFFFAOYSA-N
XLogP4.08
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(4-methylphenyl)-2-propan-2-yl-1,3-oxazole?
The IUPAC name of 5-methyl-4-(4-methylphenyl)-2-propan-2-yl-1,3-oxazole (CID 45097413) is 5-methyl-4-(4-methylphenyl)-2-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 5-methyl-4-(4-methylphenyl)-2-propan-2-yl-1,3-oxazole?
The canonical SMILES for 5-methyl-4-(4-methylphenyl)-2-propan-2-yl-1,3-oxazole is Cc1ccc(-c2nc(C(C)C)oc2C)cc1.
What is the InChIKey of 5-methyl-4-(4-methylphenyl)-2-propan-2-yl-1,3-oxazole?
The InChIKey is ZVYCECDXXAZVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-9(2)14-15-13(11(4)16-14)12-7-5-10(3)6-8-12/h5-9H,1-4H3.
What are the key properties of 5-methyl-4-(4-methylphenyl)-2-propan-2-yl-1,3-oxazole?
5-methyl-4-(4-methylphenyl)-2-propan-2-yl-1,3-oxazole has a molecular weight of 215.30 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(4-methylphenyl)-2-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 45097413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).