1-(1,3-oxazol-2-yl)-3-(4-phenylphenyl)propan-1-one

C18H15NO2 — CID 24801394

IUPAC1-(1,3-oxazol-2-yl)-3-(4-phenylphenyl)propan-1-one
SMILESO=C(CCc1ccc(-c2ccccc2)cc1)c1ncco1
InChIInChI=1S/C18H15NO2/c20-17(18-19-12-13-21-18)11-8-14-6-9-16(10-7-14)15-4-2-1-3-5-15/h1-7,9-10,12-13H,8,11H2
InChIKeyRKXYRLSZCAAEPX-UHFFFAOYSA-N
MW277.32 g/mol
LogP4.16
Rot. Bonds5

About 1-(1,3-oxazol-2-yl)-3-(4-phenylphenyl)propan-1-one

1-(1,3-oxazol-2-yl)-3-(4-phenylphenyl)propan-1-one (PubChem CID 24801394) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-(1,3-oxazol-2-yl)-3-(4-phenylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(1,3-oxazol-2-yl)-3-(4-phenylphenyl)propan-1-one
PubChem CID24801394
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name1-(1,3-oxazol-2-yl)-3-(4-phenylphenyl)propan-1-one
SMILESO=C(CCc1ccc(-c2ccccc2)cc1)c1ncco1
InChIInChI=1S/C18H15NO2/c20-17(18-19-12-13-21-18)11-8-14-6-9-16(10-7-14)15-4-2-1-3-5-15/h1-7,9-10,12-13H,8,11H2
InChIKeyRKXYRLSZCAAEPX-UHFFFAOYSA-N
XLogP4.16
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-oxazol-2-yl)-3-(4-phenylphenyl)propan-1-one?
The IUPAC name of 1-(1,3-oxazol-2-yl)-3-(4-phenylphenyl)propan-1-one (CID 24801394) is 1-(1,3-oxazol-2-yl)-3-(4-phenylphenyl)propan-1-one.
What is the SMILES notation for 1-(1,3-oxazol-2-yl)-3-(4-phenylphenyl)propan-1-one?
The canonical SMILES for 1-(1,3-oxazol-2-yl)-3-(4-phenylphenyl)propan-1-one is O=C(CCc1ccc(-c2ccccc2)cc1)c1ncco1.
What is the InChIKey of 1-(1,3-oxazol-2-yl)-3-(4-phenylphenyl)propan-1-one?
The InChIKey is RKXYRLSZCAAEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c20-17(18-19-12-13-21-18)11-8-14-6-9-16(10-7-14)15-4-2-1-3-5-15/h1-7,9-10,12-13H,8,11H2.
What are the key properties of 1-(1,3-oxazol-2-yl)-3-(4-phenylphenyl)propan-1-one?
1-(1,3-oxazol-2-yl)-3-(4-phenylphenyl)propan-1-one has a molecular weight of 277.32 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-oxazol-2-yl)-3-(4-phenylphenyl)propan-1-one is sourced from PubChem (CID 24801394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).