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

C17H19F2NO — CID 59907286

IUPAC4-cyclohexyl-5-(3,5-difluoro-4-methylphenyl)-2-methyl-1,3-oxazole
SMILESCc1nc(C2CCCCC2)c(-c2cc(F)c(C)c(F)c2)o1
InChIInChI=1S/C17H19F2NO/c1-10-14(18)8-13(9-15(10)19)17-16(20-11(2)21-17)12-6-4-3-5-7-12/h8-9,12H,3-7H2,1-2H3
InChIKeyHYMWOQRSQBDTTR-UHFFFAOYSA-N
MW291.34 g/mol
LogP5.28
Rot. Bonds2

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

4-cyclohexyl-5-(3,5-difluoro-4-methylphenyl)-2-methyl-1,3-oxazole (PubChem CID 59907286) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 4-cyclohexyl-5-(3,5-difluoro-4-methylphenyl)-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-cyclohexyl-5-(3,5-difluoro-4-methylphenyl)-2-methyl-1,3-oxazole
PubChem CID59907286
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name4-cyclohexyl-5-(3,5-difluoro-4-methylphenyl)-2-methyl-1,3-oxazole
SMILESCc1nc(C2CCCCC2)c(-c2cc(F)c(C)c(F)c2)o1
InChIInChI=1S/C17H19F2NO/c1-10-14(18)8-13(9-15(10)19)17-16(20-11(2)21-17)12-6-4-3-5-7-12/h8-9,12H,3-7H2,1-2H3
InChIKeyHYMWOQRSQBDTTR-UHFFFAOYSA-N
XLogP5.28
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.34
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-5-(3,5-difluoro-4-methylphenyl)-2-methyl-1,3-oxazole?
The IUPAC name of 4-cyclohexyl-5-(3,5-difluoro-4-methylphenyl)-2-methyl-1,3-oxazole (CID 59907286) is 4-cyclohexyl-5-(3,5-difluoro-4-methylphenyl)-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-cyclohexyl-5-(3,5-difluoro-4-methylphenyl)-2-methyl-1,3-oxazole?
The canonical SMILES for 4-cyclohexyl-5-(3,5-difluoro-4-methylphenyl)-2-methyl-1,3-oxazole is Cc1nc(C2CCCCC2)c(-c2cc(F)c(C)c(F)c2)o1.
What is the InChIKey of 4-cyclohexyl-5-(3,5-difluoro-4-methylphenyl)-2-methyl-1,3-oxazole?
The InChIKey is HYMWOQRSQBDTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-10-14(18)8-13(9-15(10)19)17-16(20-11(2)21-17)12-6-4-3-5-7-12/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 4-cyclohexyl-5-(3,5-difluoro-4-methylphenyl)-2-methyl-1,3-oxazole?
4-cyclohexyl-5-(3,5-difluoro-4-methylphenyl)-2-methyl-1,3-oxazole has a molecular weight of 291.34 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-5-(3,5-difluoro-4-methylphenyl)-2-methyl-1,3-oxazole is sourced from PubChem (CID 59907286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).