4-(cyclohexylmethyl)-2-phenyl-4H-1,3-oxazol-5-one

C16H19NO2 — CID 11097222

IUPAC4-(cyclohexylmethyl)-2-phenyl-4H-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=NC1CC1CCCCC1
InChIInChI=1S/C16H19NO2/c18-16-14(11-12-7-3-1-4-8-12)17-15(19-16)13-9-5-2-6-10-13/h2,5-6,9-10,12,14H,1,3-4,7-8,11H2
InChIKeyZMZLGLBVUPIDJT-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.33
Rot. Bonds3

About 4-(cyclohexylmethyl)-2-phenyl-4H-1,3-oxazol-5-one

4-(cyclohexylmethyl)-2-phenyl-4H-1,3-oxazol-5-one (PubChem CID 11097222) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-2-phenyl-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-2-phenyl-4H-1,3-oxazol-5-one
PubChem CID11097222
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name4-(cyclohexylmethyl)-2-phenyl-4H-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=NC1CC1CCCCC1
InChIInChI=1S/C16H19NO2/c18-16-14(11-12-7-3-1-4-8-12)17-15(19-16)13-9-5-2-6-10-13/h2,5-6,9-10,12,14H,1,3-4,7-8,11H2
InChIKeyZMZLGLBVUPIDJT-UHFFFAOYSA-N
XLogP3.33
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-2-phenyl-2-oxazoline-5-one
CID 495826
Azlactone
CID 65073
benzyl (4S)-2-phenyl-4,5-dihydrooxazole-4-carboxylate
CID 46201142
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
phenylalanine O-benzyl ester
CID 102533
4-Benzyl-2-phenyl-2-oxazolin-5-one
CID 2756650
2,4,4-Triphenyl-2-oxazolin-5-one
CID 680472
(4S)-4-benzyl-2-[4-(2,2-dimethylpropanoyl)phenyl]-4H-1,3-oxazol-5-one
CID 10688212
benzyl (4S)-2-benzyl-4,5-dihydrooxazole-4-carboxylate
CID 46201291
Benzyl 3-phenyl-L-alaninate
CID 736312

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-2-phenyl-4H-1,3-oxazol-5-one?
The IUPAC name of 4-(cyclohexylmethyl)-2-phenyl-4H-1,3-oxazol-5-one (CID 11097222) is 4-(cyclohexylmethyl)-2-phenyl-4H-1,3-oxazol-5-one.
What is the SMILES notation for 4-(cyclohexylmethyl)-2-phenyl-4H-1,3-oxazol-5-one?
The canonical SMILES for 4-(cyclohexylmethyl)-2-phenyl-4H-1,3-oxazol-5-one is O=C1OC(c2ccccc2)=NC1CC1CCCCC1.
What is the InChIKey of 4-(cyclohexylmethyl)-2-phenyl-4H-1,3-oxazol-5-one?
The InChIKey is ZMZLGLBVUPIDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c18-16-14(11-12-7-3-1-4-8-12)17-15(19-16)13-9-5-2-6-10-13/h2,5-6,9-10,12,14H,1,3-4,7-8,11H2.
What are the key properties of 4-(cyclohexylmethyl)-2-phenyl-4H-1,3-oxazol-5-one?
4-(cyclohexylmethyl)-2-phenyl-4H-1,3-oxazol-5-one has a molecular weight of 257.33 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-2-phenyl-4H-1,3-oxazol-5-one is sourced from PubChem (CID 11097222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).