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

C13H15NO — CID 608429

IUPAC2,5-diethyl-4-phenyl-1,3-oxazole
SMILESCCc1nc(-c2ccccc2)c(CC)o1
InChIInChI=1S/C13H15NO/c1-3-11-13(14-12(4-2)15-11)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyDQTYVTWDTBAFLC-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.47
Rot. Bonds3

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

2,5-diethyl-4-phenyl-1,3-oxazole (PubChem CID 608429) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2,5-diethyl-4-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2,5-diethyl-4-phenyl-1,3-oxazole
PubChem CID608429
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2,5-diethyl-4-phenyl-1,3-oxazole
SMILESCCc1nc(-c2ccccc2)c(CC)o1
InChIInChI=1S/C13H15NO/c1-3-11-13(14-12(4-2)15-11)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyDQTYVTWDTBAFLC-UHFFFAOYSA-N
XLogP3.47
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-4-phenyl-1,3-oxazole?
The IUPAC name of 2,5-diethyl-4-phenyl-1,3-oxazole (CID 608429) is 2,5-diethyl-4-phenyl-1,3-oxazole.
What is the SMILES notation for 2,5-diethyl-4-phenyl-1,3-oxazole?
The canonical SMILES for 2,5-diethyl-4-phenyl-1,3-oxazole is CCc1nc(-c2ccccc2)c(CC)o1.
What is the InChIKey of 2,5-diethyl-4-phenyl-1,3-oxazole?
The InChIKey is DQTYVTWDTBAFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-3-11-13(14-12(4-2)15-11)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3.
What are the key properties of 2,5-diethyl-4-phenyl-1,3-oxazole?
2,5-diethyl-4-phenyl-1,3-oxazole has a molecular weight of 201.27 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-4-phenyl-1,3-oxazole is sourced from PubChem (CID 608429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).