4-cyclohexyl-5-(3-fluoro-4-methylphenyl)-2-methyl-1,3-oxazole

C17H20FNO — CID 18738353

IUPAC4-cyclohexyl-5-(3-fluoro-4-methylphenyl)-2-methyl-1,3-oxazole
SMILESCc1nc(C2CCCCC2)c(-c2ccc(C)c(F)c2)o1
InChIInChI=1S/C17H20FNO/c1-11-8-9-14(10-15(11)18)17-16(19-12(2)20-17)13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3
InChIKeyJBFUSMDKBJSMMC-UHFFFAOYSA-N
MW273.35 g/mol
LogP5.15
Rot. Bonds2

About 4-cyclohexyl-5-(3-fluoro-4-methylphenyl)-2-methyl-1,3-oxazole

4-cyclohexyl-5-(3-fluoro-4-methylphenyl)-2-methyl-1,3-oxazole (PubChem CID 18738353) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 4-cyclohexyl-5-(3-fluoro-4-methylphenyl)-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-cyclohexyl-5-(3-fluoro-4-methylphenyl)-2-methyl-1,3-oxazole
PubChem CID18738353
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name4-cyclohexyl-5-(3-fluoro-4-methylphenyl)-2-methyl-1,3-oxazole
SMILESCc1nc(C2CCCCC2)c(-c2ccc(C)c(F)c2)o1
InChIInChI=1S/C17H20FNO/c1-11-8-9-14(10-15(11)18)17-16(19-12(2)20-17)13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3
InChIKeyJBFUSMDKBJSMMC-UHFFFAOYSA-N
XLogP5.15
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.35
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-5-(3-fluoro-4-methylphenyl)-2-methyl-1,3-oxazole?
The IUPAC name of 4-cyclohexyl-5-(3-fluoro-4-methylphenyl)-2-methyl-1,3-oxazole (CID 18738353) is 4-cyclohexyl-5-(3-fluoro-4-methylphenyl)-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-cyclohexyl-5-(3-fluoro-4-methylphenyl)-2-methyl-1,3-oxazole?
The canonical SMILES for 4-cyclohexyl-5-(3-fluoro-4-methylphenyl)-2-methyl-1,3-oxazole is Cc1nc(C2CCCCC2)c(-c2ccc(C)c(F)c2)o1.
What is the InChIKey of 4-cyclohexyl-5-(3-fluoro-4-methylphenyl)-2-methyl-1,3-oxazole?
The InChIKey is JBFUSMDKBJSMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-11-8-9-14(10-15(11)18)17-16(19-12(2)20-17)13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3.
What are the key properties of 4-cyclohexyl-5-(3-fluoro-4-methylphenyl)-2-methyl-1,3-oxazole?
4-cyclohexyl-5-(3-fluoro-4-methylphenyl)-2-methyl-1,3-oxazole has a molecular weight of 273.35 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-5-(3-fluoro-4-methylphenyl)-2-methyl-1,3-oxazole is sourced from PubChem (CID 18738353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).