4,4-dimethyl-2-(1-phenylethyl)-5H-1,3-oxazole

C13H17NO — CID 71405550

IUPAC4,4-dimethyl-2-(1-phenylethyl)-5H-1,3-oxazole
SMILESCC(C1=NC(C)(C)CO1)c1ccccc1
InChIInChI=1S/C13H17NO/c1-10(11-7-5-4-6-8-11)12-14-13(2,3)9-15-12/h4-8,10H,9H2,1-3H3
InChIKeyXHYZDCBNHJUBBT-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.00
Rot. Bonds2

About 4,4-dimethyl-2-(1-phenylethyl)-5H-1,3-oxazole

4,4-dimethyl-2-(1-phenylethyl)-5H-1,3-oxazole (PubChem CID 71405550) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 4,4-dimethyl-2-(1-phenylethyl)-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-(1-phenylethyl)-5H-1,3-oxazole
PubChem CID71405550
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name4,4-dimethyl-2-(1-phenylethyl)-5H-1,3-oxazole
SMILESCC(C1=NC(C)(C)CO1)c1ccccc1
InChIInChI=1S/C13H17NO/c1-10(11-7-5-4-6-8-11)12-14-13(2,3)9-15-12/h4-8,10H,9H2,1-3H3
InChIKeyXHYZDCBNHJUBBT-UHFFFAOYSA-N
XLogP3.00
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(1-phenylethyl)-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-(1-phenylethyl)-5H-1,3-oxazole (CID 71405550) is 4,4-dimethyl-2-(1-phenylethyl)-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-(1-phenylethyl)-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-(1-phenylethyl)-5H-1,3-oxazole is CC(C1=NC(C)(C)CO1)c1ccccc1.
What is the InChIKey of 4,4-dimethyl-2-(1-phenylethyl)-5H-1,3-oxazole?
The InChIKey is XHYZDCBNHJUBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-10(11-7-5-4-6-8-11)12-14-13(2,3)9-15-12/h4-8,10H,9H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-(1-phenylethyl)-5H-1,3-oxazole?
4,4-dimethyl-2-(1-phenylethyl)-5H-1,3-oxazole has a molecular weight of 203.28 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(1-phenylethyl)-5H-1,3-oxazole is sourced from PubChem (CID 71405550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).