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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Related Compounds

4-Methyl-2-phenyl-2-oxazoline-5-one
CID 495826
2,4-Diphenyl-1,3-oxazol-5(4h)-one
CID 223025
4-Isopropyl-2-phenyl-2-oxazoline-5-one
CID 339098
(1R,3R)-1,5-Diphenyl-6-oxa-4-aza-spiro[2.4]hept-4-en-7-one
CID 12331930
4-Benzyl-2-phenyl-2-oxazolin-5-one
CID 2756650
1-(4-Methylphenyl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one
CID 467563
(4S)-4-benzyl-2-[4-(2,2-dimethylpropanoyl)phenyl]-4H-1,3-oxazol-5-one
CID 10688212
benzyl (4S)-2-(p-tolyl)-4,5-dihydrooxazole-4-carboxylate
CID 46201336
4-Isobutyl-2-phenyl-2-oxazoline-5-one
CID 2759384
(4S)-2-phenyl-4-propan-2-yl-4H-1,3-oxazol-5-one
CID 6992728
(4S)-4-benzyl-2-phenyl-4H-1,3-oxazol-5-one
CID 7016908
4-Benzyl-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 54091008

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).