2-(2-benzyl-3-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole

C18H18FNO — CID 57237682

IUPAC2-(2-benzyl-3-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2cccc(F)c2Cc2ccccc2)=N1
InChIInChI=1S/C18H18FNO/c1-18(2)12-21-17(20-18)14-9-6-10-16(19)15(14)11-13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3
InChIKeyZPQIUPNWFVWOHD-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.97
Rot. Bonds3

About 2-(2-benzyl-3-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole

2-(2-benzyl-3-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 57237682) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-(2-benzyl-3-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(2-benzyl-3-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID57237682
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name2-(2-benzyl-3-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2cccc(F)c2Cc2ccccc2)=N1
InChIInChI=1S/C18H18FNO/c1-18(2)12-21-17(20-18)14-9-6-10-16(19)15(14)11-13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3
InChIKeyZPQIUPNWFVWOHD-UHFFFAOYSA-N
XLogP3.97
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-3-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(2-benzyl-3-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole (CID 57237682) is 2-(2-benzyl-3-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(2-benzyl-3-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(2-benzyl-3-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2cccc(F)c2Cc2ccccc2)=N1.
What is the InChIKey of 2-(2-benzyl-3-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is ZPQIUPNWFVWOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c1-18(2)12-21-17(20-18)14-9-6-10-16(19)15(14)11-13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3.
What are the key properties of 2-(2-benzyl-3-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole?
2-(2-benzyl-3-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 283.35 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-3-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 57237682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).