5-(5-fluoro-2-propan-2-ylphenyl)-3-propan-2-yl-1,2-oxazole

C15H18FNO — CID 138571044

IUPAC5-(5-fluoro-2-propan-2-ylphenyl)-3-propan-2-yl-1,2-oxazole
SMILESCC(C)c1cc(-c2cc(F)ccc2C(C)C)on1
InChIInChI=1S/C15H18FNO/c1-9(2)12-6-5-11(16)7-13(12)15-8-14(10(3)4)17-18-15/h5-10H,1-4H3
InChIKeyWEQLZBHIVLFLPR-UHFFFAOYSA-N
MW247.31 g/mol
LogP4.73
Rot. Bonds3

About 5-(5-fluoro-2-propan-2-ylphenyl)-3-propan-2-yl-1,2-oxazole

5-(5-fluoro-2-propan-2-ylphenyl)-3-propan-2-yl-1,2-oxazole (PubChem CID 138571044) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is 5-(5-fluoro-2-propan-2-ylphenyl)-3-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name5-(5-fluoro-2-propan-2-ylphenyl)-3-propan-2-yl-1,2-oxazole
PubChem CID138571044
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC Name5-(5-fluoro-2-propan-2-ylphenyl)-3-propan-2-yl-1,2-oxazole
SMILESCC(C)c1cc(-c2cc(F)ccc2C(C)C)on1
InChIInChI=1S/C15H18FNO/c1-9(2)12-6-5-11(16)7-13(12)15-8-14(10(3)4)17-18-15/h5-10H,1-4H3
InChIKeyWEQLZBHIVLFLPR-UHFFFAOYSA-N
XLogP4.73
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-propan-2-ylphenyl)-3-propan-2-yl-1,2-oxazole?
The IUPAC name of 5-(5-fluoro-2-propan-2-ylphenyl)-3-propan-2-yl-1,2-oxazole (CID 138571044) is 5-(5-fluoro-2-propan-2-ylphenyl)-3-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 5-(5-fluoro-2-propan-2-ylphenyl)-3-propan-2-yl-1,2-oxazole?
The canonical SMILES for 5-(5-fluoro-2-propan-2-ylphenyl)-3-propan-2-yl-1,2-oxazole is CC(C)c1cc(-c2cc(F)ccc2C(C)C)on1.
What is the InChIKey of 5-(5-fluoro-2-propan-2-ylphenyl)-3-propan-2-yl-1,2-oxazole?
The InChIKey is WEQLZBHIVLFLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c1-9(2)12-6-5-11(16)7-13(12)15-8-14(10(3)4)17-18-15/h5-10H,1-4H3.
What are the key properties of 5-(5-fluoro-2-propan-2-ylphenyl)-3-propan-2-yl-1,2-oxazole?
5-(5-fluoro-2-propan-2-ylphenyl)-3-propan-2-yl-1,2-oxazole has a molecular weight of 247.31 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-propan-2-ylphenyl)-3-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 138571044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).