4-ethyl-2-phenyl-4,5-dihydro-1,3-oxazole

C11H13NO — CID 15076225

IUPAC4-ethyl-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESCCC1COC(c2ccccc2)=N1
InChIInChI=1S/C11H13NO/c1-2-10-8-13-11(12-10)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
InChIKeyKWCYSQDVFQGKSA-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.24
Rot. Bonds2

About 4-ethyl-2-phenyl-4,5-dihydro-1,3-oxazole

4-ethyl-2-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 15076225) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 4-ethyl-2-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-ethyl-2-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID15076225
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name4-ethyl-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESCCC1COC(c2ccccc2)=N1
InChIInChI=1S/C11H13NO/c1-2-10-8-13-11(12-10)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
InChIKeyKWCYSQDVFQGKSA-UHFFFAOYSA-N
XLogP2.24
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-ethyl-2-phenyl-4,5-dihydro-1,3-oxazole (CID 15076225) is 4-ethyl-2-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-ethyl-2-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-ethyl-2-phenyl-4,5-dihydro-1,3-oxazole is CCC1COC(c2ccccc2)=N1.
What is the InChIKey of 4-ethyl-2-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is KWCYSQDVFQGKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-10-8-13-11(12-10)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3.
What are the key properties of 4-ethyl-2-phenyl-4,5-dihydro-1,3-oxazole?
4-ethyl-2-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 175.23 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 15076225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).