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

C16H18FNO — CID 10901338

IUPAC4-cyclohexyl-5-(3-fluorophenyl)-2-methyl-1,3-oxazole
SMILESCc1nc(C2CCCCC2)c(-c2cccc(F)c2)o1
InChIInChI=1S/C16H18FNO/c1-11-18-15(12-6-3-2-4-7-12)16(19-11)13-8-5-9-14(17)10-13/h5,8-10,12H,2-4,6-7H2,1H3
InChIKeyLLRYBEARGCVBPZ-UHFFFAOYSA-N
MW259.32 g/mol
LogP4.84
Rot. Bonds2

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

4-cyclohexyl-5-(3-fluorophenyl)-2-methyl-1,3-oxazole (PubChem CID 10901338) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 4-cyclohexyl-5-(3-fluorophenyl)-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-cyclohexyl-5-(3-fluorophenyl)-2-methyl-1,3-oxazole
PubChem CID10901338
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name4-cyclohexyl-5-(3-fluorophenyl)-2-methyl-1,3-oxazole
SMILESCc1nc(C2CCCCC2)c(-c2cccc(F)c2)o1
InChIInChI=1S/C16H18FNO/c1-11-18-15(12-6-3-2-4-7-12)16(19-11)13-8-5-9-14(17)10-13/h5,8-10,12H,2-4,6-7H2,1H3
InChIKeyLLRYBEARGCVBPZ-UHFFFAOYSA-N
XLogP4.84
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 54.84
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-methyl-1,3-oxazole?
The IUPAC name of 4-cyclohexyl-5-(3-fluorophenyl)-2-methyl-1,3-oxazole (CID 10901338) is 4-cyclohexyl-5-(3-fluorophenyl)-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-cyclohexyl-5-(3-fluorophenyl)-2-methyl-1,3-oxazole?
The canonical SMILES for 4-cyclohexyl-5-(3-fluorophenyl)-2-methyl-1,3-oxazole is Cc1nc(C2CCCCC2)c(-c2cccc(F)c2)o1.
What is the InChIKey of 4-cyclohexyl-5-(3-fluorophenyl)-2-methyl-1,3-oxazole?
The InChIKey is LLRYBEARGCVBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11-18-15(12-6-3-2-4-7-12)16(19-11)13-8-5-9-14(17)10-13/h5,8-10,12H,2-4,6-7H2,1H3.
What are the key properties of 4-cyclohexyl-5-(3-fluorophenyl)-2-methyl-1,3-oxazole?
4-cyclohexyl-5-(3-fluorophenyl)-2-methyl-1,3-oxazole has a molecular weight of 259.32 g/mol, XLogP of 4.84, 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-fluorophenyl)-2-methyl-1,3-oxazole is sourced from PubChem (CID 10901338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).