1-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]phenyl]propan-1-one

C20H21NO2 — CID 134982622

IUPAC1-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(-c2ccccc2C2=NC(C)(C)CO2)cc1
InChIInChI=1S/C20H21NO2/c1-4-18(22)15-11-9-14(10-12-15)16-7-5-6-8-17(16)19-21-20(2,3)13-23-19/h5-12H,4,13H2,1-3H3
InChIKeyFSMCPJXICMSGLE-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.50
Rot. Bonds4

About 1-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]phenyl]propan-1-one

1-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]phenyl]propan-1-one (PubChem CID 134982622) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]phenyl]propan-1-one
PubChem CID134982622
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name1-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(-c2ccccc2C2=NC(C)(C)CO2)cc1
InChIInChI=1S/C20H21NO2/c1-4-18(22)15-11-9-14(10-12-15)16-7-5-6-8-17(16)19-21-20(2,3)13-23-19/h5-12H,4,13H2,1-3H3
InChIKeyFSMCPJXICMSGLE-UHFFFAOYSA-N
XLogP4.50
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]phenyl]propan-1-one?
The IUPAC name of 1-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]phenyl]propan-1-one (CID 134982622) is 1-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]phenyl]propan-1-one is CCC(=O)c1ccc(-c2ccccc2C2=NC(C)(C)CO2)cc1.
What is the InChIKey of 1-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]phenyl]propan-1-one?
The InChIKey is FSMCPJXICMSGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-4-18(22)15-11-9-14(10-12-15)16-7-5-6-8-17(16)19-21-20(2,3)13-23-19/h5-12H,4,13H2,1-3H3.
What are the key properties of 1-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]phenyl]propan-1-one?
1-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]phenyl]propan-1-one has a molecular weight of 307.39 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]phenyl]propan-1-one is sourced from PubChem (CID 134982622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).