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

C12H13NO — CID 56596556

IUPAC5-ethyl-3-methyl-4-phenyl-1,2-oxazole
SMILESCCc1onc(C)c1-c1ccccc1
InChIInChI=1S/C12H13NO/c1-3-11-12(9(2)13-14-11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKeyRWCFZRPXMBQSOA-UHFFFAOYSA-N
MW187.24 g/mol
LogP3.21
Rot. Bonds2

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

5-ethyl-3-methyl-4-phenyl-1,2-oxazole (PubChem CID 56596556) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 5-ethyl-3-methyl-4-phenyl-1,2-oxazole.

Molecular Properties

Compound Name5-ethyl-3-methyl-4-phenyl-1,2-oxazole
PubChem CID56596556
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name5-ethyl-3-methyl-4-phenyl-1,2-oxazole
SMILESCCc1onc(C)c1-c1ccccc1
InChIInChI=1S/C12H13NO/c1-3-11-12(9(2)13-14-11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKeyRWCFZRPXMBQSOA-UHFFFAOYSA-N
XLogP3.21
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyl-4-phenyl-1,2-oxazole?
The IUPAC name of 5-ethyl-3-methyl-4-phenyl-1,2-oxazole (CID 56596556) is 5-ethyl-3-methyl-4-phenyl-1,2-oxazole.
What is the SMILES notation for 5-ethyl-3-methyl-4-phenyl-1,2-oxazole?
The canonical SMILES for 5-ethyl-3-methyl-4-phenyl-1,2-oxazole is CCc1onc(C)c1-c1ccccc1.
What is the InChIKey of 5-ethyl-3-methyl-4-phenyl-1,2-oxazole?
The InChIKey is RWCFZRPXMBQSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-3-11-12(9(2)13-14-11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3.
What are the key properties of 5-ethyl-3-methyl-4-phenyl-1,2-oxazole?
5-ethyl-3-methyl-4-phenyl-1,2-oxazole has a molecular weight of 187.24 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-4-phenyl-1,2-oxazole is sourced from PubChem (CID 56596556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).