4-methyl-2-(2-methylpropyl)-5-phenyl-1,3-oxazole

C14H17NO — CID 12742224

IUPAC4-methyl-2-(2-methylpropyl)-5-phenyl-1,3-oxazole
SMILESCc1nc(CC(C)C)oc1-c1ccccc1
InChIInChI=1S/C14H17NO/c1-10(2)9-13-15-11(3)14(16-13)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3
InChIKeyKHEJEAYQRBVTMA-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.85
Rot. Bonds3

About 4-methyl-2-(2-methylpropyl)-5-phenyl-1,3-oxazole

4-methyl-2-(2-methylpropyl)-5-phenyl-1,3-oxazole (PubChem CID 12742224) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-methyl-2-(2-methylpropyl)-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-2-(2-methylpropyl)-5-phenyl-1,3-oxazole
PubChem CID12742224
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name4-methyl-2-(2-methylpropyl)-5-phenyl-1,3-oxazole
SMILESCc1nc(CC(C)C)oc1-c1ccccc1
InChIInChI=1S/C14H17NO/c1-10(2)9-13-15-11(3)14(16-13)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3
InChIKeyKHEJEAYQRBVTMA-UHFFFAOYSA-N
XLogP3.85
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-Methyl-5-Phenyl-1,3-Oxazole
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylpropyl)-5-phenyl-1,3-oxazole?
The IUPAC name of 4-methyl-2-(2-methylpropyl)-5-phenyl-1,3-oxazole (CID 12742224) is 4-methyl-2-(2-methylpropyl)-5-phenyl-1,3-oxazole.
What is the SMILES notation for 4-methyl-2-(2-methylpropyl)-5-phenyl-1,3-oxazole?
The canonical SMILES for 4-methyl-2-(2-methylpropyl)-5-phenyl-1,3-oxazole is Cc1nc(CC(C)C)oc1-c1ccccc1.
What is the InChIKey of 4-methyl-2-(2-methylpropyl)-5-phenyl-1,3-oxazole?
The InChIKey is KHEJEAYQRBVTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-10(2)9-13-15-11(3)14(16-13)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3.
What are the key properties of 4-methyl-2-(2-methylpropyl)-5-phenyl-1,3-oxazole?
4-methyl-2-(2-methylpropyl)-5-phenyl-1,3-oxazole has a molecular weight of 215.30 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylpropyl)-5-phenyl-1,3-oxazole is sourced from PubChem (CID 12742224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).