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

C13H17NO — CID 555354

IUPAC4,5-diethyl-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESCCC1N=C(c2ccccc2)OC1CC
InChIInChI=1S/C13H17NO/c1-3-11-12(4-2)15-13(14-11)10-8-6-5-7-9-10/h5-9,11-12H,3-4H2,1-2H3
InChIKeyMSPVBNYZAASTPU-UHFFFAOYSA-N
MW203.29 g/mol
LogP3.02
Rot. Bonds3

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

4,5-diethyl-2-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 555354) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 4,5-diethyl-2-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4,5-diethyl-2-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID555354
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name4,5-diethyl-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESCCC1N=C(c2ccccc2)OC1CC
InChIInChI=1S/C13H17NO/c1-3-11-12(4-2)15-13(14-11)10-8-6-5-7-9-10/h5-9,11-12H,3-4H2,1-2H3
InChIKeyMSPVBNYZAASTPU-UHFFFAOYSA-N
XLogP3.02
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-2-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4,5-diethyl-2-phenyl-4,5-dihydro-1,3-oxazole (CID 555354) is 4,5-diethyl-2-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4,5-diethyl-2-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4,5-diethyl-2-phenyl-4,5-dihydro-1,3-oxazole is CCC1N=C(c2ccccc2)OC1CC.
What is the InChIKey of 4,5-diethyl-2-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is MSPVBNYZAASTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-11-12(4-2)15-13(14-11)10-8-6-5-7-9-10/h5-9,11-12H,3-4H2,1-2H3.
What are the key properties of 4,5-diethyl-2-phenyl-4,5-dihydro-1,3-oxazole?
4,5-diethyl-2-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 203.29 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-2-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 555354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).