4-ethyl-5-methyl-2-(3-phenylphenyl)-1,3-oxazole

C18H17NO — CID 91508393

IUPAC4-ethyl-5-methyl-2-(3-phenylphenyl)-1,3-oxazole
SMILESCCc1nc(-c2cccc(-c3ccccc3)c2)oc1C
InChIInChI=1S/C18H17NO/c1-3-17-13(2)20-18(19-17)16-11-7-10-15(12-16)14-8-5-4-6-9-14/h4-12H,3H2,1-2H3
InChIKeyYQRMNLVSJDHABK-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.88
Rot. Bonds3

About 4-ethyl-5-methyl-2-(3-phenylphenyl)-1,3-oxazole

4-ethyl-5-methyl-2-(3-phenylphenyl)-1,3-oxazole (PubChem CID 91508393) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-ethyl-5-methyl-2-(3-phenylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-ethyl-5-methyl-2-(3-phenylphenyl)-1,3-oxazole
PubChem CID91508393
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name4-ethyl-5-methyl-2-(3-phenylphenyl)-1,3-oxazole
SMILESCCc1nc(-c2cccc(-c3ccccc3)c2)oc1C
InChIInChI=1S/C18H17NO/c1-3-17-13(2)20-18(19-17)16-11-7-10-15(12-16)14-8-5-4-6-9-14/h4-12H,3H2,1-2H3
InChIKeyYQRMNLVSJDHABK-UHFFFAOYSA-N
XLogP4.88
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-2-(3-phenylphenyl)-1,3-oxazole?
The IUPAC name of 4-ethyl-5-methyl-2-(3-phenylphenyl)-1,3-oxazole (CID 91508393) is 4-ethyl-5-methyl-2-(3-phenylphenyl)-1,3-oxazole.
What is the SMILES notation for 4-ethyl-5-methyl-2-(3-phenylphenyl)-1,3-oxazole?
The canonical SMILES for 4-ethyl-5-methyl-2-(3-phenylphenyl)-1,3-oxazole is CCc1nc(-c2cccc(-c3ccccc3)c2)oc1C.
What is the InChIKey of 4-ethyl-5-methyl-2-(3-phenylphenyl)-1,3-oxazole?
The InChIKey is YQRMNLVSJDHABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-3-17-13(2)20-18(19-17)16-11-7-10-15(12-16)14-8-5-4-6-9-14/h4-12H,3H2,1-2H3.
What are the key properties of 4-ethyl-5-methyl-2-(3-phenylphenyl)-1,3-oxazole?
4-ethyl-5-methyl-2-(3-phenylphenyl)-1,3-oxazole has a molecular weight of 263.34 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-2-(3-phenylphenyl)-1,3-oxazole is sourced from PubChem (CID 91508393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).