1-(4-tert-butylphenyl)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethanone

C17H23NO2 — CID 7471343

IUPAC1-(4-tert-butylphenyl)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethanone
SMILESCC1(C)COC(CC(=O)c2ccc(C(C)(C)C)cc2)=N1
InChIInChI=1S/C17H23NO2/c1-16(2,3)13-8-6-12(7-9-13)14(19)10-15-18-17(4,5)11-20-15/h6-9H,10-11H2,1-5H3
InChIKeyOOYNDFVFSOWISI-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.76
Rot. Bonds3

About 1-(4-tert-butylphenyl)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethanone

1-(4-tert-butylphenyl)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethanone (PubChem CID 7471343) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethanone
PubChem CID7471343
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name1-(4-tert-butylphenyl)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethanone
SMILESCC1(C)COC(CC(=O)c2ccc(C(C)(C)C)cc2)=N1
InChIInChI=1S/C17H23NO2/c1-16(2,3)13-8-6-12(7-9-13)14(19)10-15-18-17(4,5)11-20-15/h6-9H,10-11H2,1-5H3
InChIKeyOOYNDFVFSOWISI-UHFFFAOYSA-N
XLogP3.76
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethanone?
The IUPAC name of 1-(4-tert-butylphenyl)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethanone (CID 7471343) is 1-(4-tert-butylphenyl)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethanone.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethanone?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethanone is CC1(C)COC(CC(=O)c2ccc(C(C)(C)C)cc2)=N1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethanone?
The InChIKey is OOYNDFVFSOWISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-16(2,3)13-8-6-12(7-9-13)14(19)10-15-18-17(4,5)11-20-15/h6-9H,10-11H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethanone?
1-(4-tert-butylphenyl)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethanone has a molecular weight of 273.38 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)ethanone is sourced from PubChem (CID 7471343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).