1-[4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]phenyl]ethanone

C18H17NO2 — CID 11737546

IUPAC1-[4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cccc(C)c2C2=NCCO2)cc1
InChIInChI=1S/C18H17NO2/c1-12-4-3-5-16(17(12)18-19-10-11-21-18)15-8-6-14(7-9-15)13(2)20/h3-9H,10-11H2,1-2H3
InChIKeySAWWVUZGYNEEAQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.64
Rot. Bonds3

About 1-[4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]phenyl]ethanone

1-[4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]phenyl]ethanone (PubChem CID 11737546) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]phenyl]ethanone
PubChem CID11737546
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name1-[4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cccc(C)c2C2=NCCO2)cc1
InChIInChI=1S/C18H17NO2/c1-12-4-3-5-16(17(12)18-19-10-11-21-18)15-8-6-14(7-9-15)13(2)20/h3-9H,10-11H2,1-2H3
InChIKeySAWWVUZGYNEEAQ-UHFFFAOYSA-N
XLogP3.64
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]phenyl]ethanone?
The IUPAC name of 1-[4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]phenyl]ethanone (CID 11737546) is 1-[4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]phenyl]ethanone is CC(=O)c1ccc(-c2cccc(C)c2C2=NCCO2)cc1.
What is the InChIKey of 1-[4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]phenyl]ethanone?
The InChIKey is SAWWVUZGYNEEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-12-4-3-5-16(17(12)18-19-10-11-21-18)15-8-6-14(7-9-15)13(2)20/h3-9H,10-11H2,1-2H3.
What are the key properties of 1-[4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]phenyl]ethanone?
1-[4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]phenyl]ethanone has a molecular weight of 279.34 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]phenyl]ethanone is sourced from PubChem (CID 11737546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).