4-cyclohexyl-5-(3-fluorophenyl)-2-propan-2-yl-1,3-oxazole

C18H22FNO — CID 11781170

IUPAC4-cyclohexyl-5-(3-fluorophenyl)-2-propan-2-yl-1,3-oxazole
SMILESCC(C)c1nc(C2CCCCC2)c(-c2cccc(F)c2)o1
InChIInChI=1S/C18H22FNO/c1-12(2)18-20-16(13-7-4-3-5-8-13)17(21-18)14-9-6-10-15(19)11-14/h6,9-13H,3-5,7-8H2,1-2H3
InChIKeyWGCCCKHIXJDCFU-UHFFFAOYSA-N
MW287.38 g/mol
LogP5.65
Rot. Bonds3

About 4-cyclohexyl-5-(3-fluorophenyl)-2-propan-2-yl-1,3-oxazole

4-cyclohexyl-5-(3-fluorophenyl)-2-propan-2-yl-1,3-oxazole (PubChem CID 11781170) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 4-cyclohexyl-5-(3-fluorophenyl)-2-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-cyclohexyl-5-(3-fluorophenyl)-2-propan-2-yl-1,3-oxazole
PubChem CID11781170
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name4-cyclohexyl-5-(3-fluorophenyl)-2-propan-2-yl-1,3-oxazole
SMILESCC(C)c1nc(C2CCCCC2)c(-c2cccc(F)c2)o1
InChIInChI=1S/C18H22FNO/c1-12(2)18-20-16(13-7-4-3-5-8-13)17(21-18)14-9-6-10-15(19)11-14/h6,9-13H,3-5,7-8H2,1-2H3
InChIKeyWGCCCKHIXJDCFU-UHFFFAOYSA-N
XLogP5.65
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.38
LogP ≤ 55.65
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-fluorophenyl)-2-propan-2-yl-1,3-oxazole?
The IUPAC name of 4-cyclohexyl-5-(3-fluorophenyl)-2-propan-2-yl-1,3-oxazole (CID 11781170) is 4-cyclohexyl-5-(3-fluorophenyl)-2-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 4-cyclohexyl-5-(3-fluorophenyl)-2-propan-2-yl-1,3-oxazole?
The canonical SMILES for 4-cyclohexyl-5-(3-fluorophenyl)-2-propan-2-yl-1,3-oxazole is CC(C)c1nc(C2CCCCC2)c(-c2cccc(F)c2)o1.
What is the InChIKey of 4-cyclohexyl-5-(3-fluorophenyl)-2-propan-2-yl-1,3-oxazole?
The InChIKey is WGCCCKHIXJDCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-12(2)18-20-16(13-7-4-3-5-8-13)17(21-18)14-9-6-10-15(19)11-14/h6,9-13H,3-5,7-8H2,1-2H3.
What are the key properties of 4-cyclohexyl-5-(3-fluorophenyl)-2-propan-2-yl-1,3-oxazole?
4-cyclohexyl-5-(3-fluorophenyl)-2-propan-2-yl-1,3-oxazole has a molecular weight of 287.38 g/mol, XLogP of 5.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-5-(3-fluorophenyl)-2-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 11781170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).