4-cyclohexyl-2-(4-methylphenyl)-4H-1,3-oxazol-5-one

C16H19NO2 — CID 155908032

IUPAC4-cyclohexyl-2-(4-methylphenyl)-4H-1,3-oxazol-5-one
SMILESCc1ccc(C2=NC(C3CCCCC3)C(=O)O2)cc1
InChIInChI=1S/C16H19NO2/c1-11-7-9-13(10-8-11)15-17-14(16(18)19-15)12-5-3-2-4-6-12/h7-10,12,14H,2-6H2,1H3
InChIKeyFPRKBUOPPVJUKO-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.25
Rot. Bonds2

About 4-cyclohexyl-2-(4-methylphenyl)-4H-1,3-oxazol-5-one

4-cyclohexyl-2-(4-methylphenyl)-4H-1,3-oxazol-5-one (PubChem CID 155908032) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-cyclohexyl-2-(4-methylphenyl)-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-cyclohexyl-2-(4-methylphenyl)-4H-1,3-oxazol-5-one
PubChem CID155908032
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name4-cyclohexyl-2-(4-methylphenyl)-4H-1,3-oxazol-5-one
SMILESCc1ccc(C2=NC(C3CCCCC3)C(=O)O2)cc1
InChIInChI=1S/C16H19NO2/c1-11-7-9-13(10-8-11)15-17-14(16(18)19-15)12-5-3-2-4-6-12/h7-10,12,14H,2-6H2,1H3
InChIKeyFPRKBUOPPVJUKO-UHFFFAOYSA-N
XLogP3.25
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2-(4-methylphenyl)-4H-1,3-oxazol-5-one?
The IUPAC name of 4-cyclohexyl-2-(4-methylphenyl)-4H-1,3-oxazol-5-one (CID 155908032) is 4-cyclohexyl-2-(4-methylphenyl)-4H-1,3-oxazol-5-one.
What is the SMILES notation for 4-cyclohexyl-2-(4-methylphenyl)-4H-1,3-oxazol-5-one?
The canonical SMILES for 4-cyclohexyl-2-(4-methylphenyl)-4H-1,3-oxazol-5-one is Cc1ccc(C2=NC(C3CCCCC3)C(=O)O2)cc1.
What is the InChIKey of 4-cyclohexyl-2-(4-methylphenyl)-4H-1,3-oxazol-5-one?
The InChIKey is FPRKBUOPPVJUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11-7-9-13(10-8-11)15-17-14(16(18)19-15)12-5-3-2-4-6-12/h7-10,12,14H,2-6H2,1H3.
What are the key properties of 4-cyclohexyl-2-(4-methylphenyl)-4H-1,3-oxazol-5-one?
4-cyclohexyl-2-(4-methylphenyl)-4H-1,3-oxazol-5-one has a molecular weight of 257.33 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2-(4-methylphenyl)-4H-1,3-oxazol-5-one is sourced from PubChem (CID 155908032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).