1-(3,5-diphenyl-4H-1,2-oxazol-5-yl)propan-2-one

C18H17NO2 — CID 12579930

IUPAC1-(3,5-diphenyl-4H-1,2-oxazol-5-yl)propan-2-one
SMILESCC(=O)CC1(c2ccccc2)CC(c2ccccc2)=NO1
InChIInChI=1S/C18H17NO2/c1-14(20)12-18(16-10-6-3-7-11-16)13-17(19-21-18)15-8-4-2-5-9-15/h2-11H,12-13H2,1H3
InChIKeyUBOYYAMIBZSCDU-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.69
Rot. Bonds4

About 1-(3,5-diphenyl-4H-1,2-oxazol-5-yl)propan-2-one

1-(3,5-diphenyl-4H-1,2-oxazol-5-yl)propan-2-one (PubChem CID 12579930) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(3,5-diphenyl-4H-1,2-oxazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-(3,5-diphenyl-4H-1,2-oxazol-5-yl)propan-2-one
PubChem CID12579930
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name1-(3,5-diphenyl-4H-1,2-oxazol-5-yl)propan-2-one
SMILESCC(=O)CC1(c2ccccc2)CC(c2ccccc2)=NO1
InChIInChI=1S/C18H17NO2/c1-14(20)12-18(16-10-6-3-7-11-16)13-17(19-21-18)15-8-4-2-5-9-15/h2-11H,12-13H2,1H3
InChIKeyUBOYYAMIBZSCDU-UHFFFAOYSA-N
XLogP3.69
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-diphenyl-4H-1,2-oxazol-5-yl)propan-2-one?
The IUPAC name of 1-(3,5-diphenyl-4H-1,2-oxazol-5-yl)propan-2-one (CID 12579930) is 1-(3,5-diphenyl-4H-1,2-oxazol-5-yl)propan-2-one.
What is the SMILES notation for 1-(3,5-diphenyl-4H-1,2-oxazol-5-yl)propan-2-one?
The canonical SMILES for 1-(3,5-diphenyl-4H-1,2-oxazol-5-yl)propan-2-one is CC(=O)CC1(c2ccccc2)CC(c2ccccc2)=NO1.
What is the InChIKey of 1-(3,5-diphenyl-4H-1,2-oxazol-5-yl)propan-2-one?
The InChIKey is UBOYYAMIBZSCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-14(20)12-18(16-10-6-3-7-11-16)13-17(19-21-18)15-8-4-2-5-9-15/h2-11H,12-13H2,1H3.
What are the key properties of 1-(3,5-diphenyl-4H-1,2-oxazol-5-yl)propan-2-one?
1-(3,5-diphenyl-4H-1,2-oxazol-5-yl)propan-2-one has a molecular weight of 279.34 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-diphenyl-4H-1,2-oxazol-5-yl)propan-2-one is sourced from PubChem (CID 12579930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).