[(4R)-4-methyl-2-phenyl-5H-1,3-oxazol-4-yl]methyl dodecanoate

C23H35NO3 — CID 98564890

IUPAC[(4R)-4-methyl-2-phenyl-5H-1,3-oxazol-4-yl]methyl dodecanoate
SMILESCCCCCCCCCCCC(=O)OC[C@@]1(C)COC(c2ccccc2)=N1
InChIInChI=1S/C23H35NO3/c1-3-4-5-6-7-8-9-10-14-17-21(25)26-18-23(2)19-27-22(24-23)20-15-12-11-13-16-20/h11-13,15-16H,3-10,14,17-19H2,1-2H3/t23-/m0/s1
InChIKeyVTCZCBWNQMSXCP-QHCPKHFHSA-N
MW373.54 g/mol
LogP5.69
Rot. Bonds13

About [(4R)-4-methyl-2-phenyl-5H-1,3-oxazol-4-yl]methyl dodecanoate

[(4R)-4-methyl-2-phenyl-5H-1,3-oxazol-4-yl]methyl dodecanoate (PubChem CID 98564890) has the molecular formula C23H35NO3 and a molecular weight of 373.54 g/mol. Its IUPAC name is [(4R)-4-methyl-2-phenyl-5H-1,3-oxazol-4-yl]methyl dodecanoate.

Molecular Properties

Compound Name[(4R)-4-methyl-2-phenyl-5H-1,3-oxazol-4-yl]methyl dodecanoate
PubChem CID98564890
Molecular FormulaC23H35NO3
Molecular Weight373.54 g/mol
Exact Mass373.26
IUPAC Name[(4R)-4-methyl-2-phenyl-5H-1,3-oxazol-4-yl]methyl dodecanoate
SMILESCCCCCCCCCCCC(=O)OC[C@@]1(C)COC(c2ccccc2)=N1
InChIInChI=1S/C23H35NO3/c1-3-4-5-6-7-8-9-10-14-17-21(25)26-18-23(2)19-27-22(24-23)20-15-12-11-13-16-20/h11-13,15-16H,3-10,14,17-19H2,1-2H3/t23-/m0/s1
InChIKeyVTCZCBWNQMSXCP-QHCPKHFHSA-N
XLogP5.69
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.54
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [(4R)-4-methyl-2-phenyl-5H-1,3-oxazol-4-yl]methyl dodecanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(dodecanoyloxymethyl)-2-methyl-5H-1,3-oxazol-4-yl]methyl dodecanoate
CID 71248635
[4-(docosanoyloxymethyl)-2-henicosyl-5H-1,3-oxazol-4-yl]methyl docosanoate
CID 53420392
[4-(dodecanoyloxymethyl)-2-undecyl-5H-1,3-oxazol-4-yl]methyl dodecanoate
CID 70936310
ethyl 3-[(4S)-4-(hydroxymethyl)-2-phenyl-5H-1,3-oxazol-4-yl]propanoate
CID 102181640
1,1'-biphenyl;methyl tetradecanoate
CID 175273282
benzyl heptadecanoate
CID 522569
[5-oxo-2-(phenoxymethyl)oxolan-2-yl]methyl heptanoate
CID 155395454
[2-(heptanoyloxymethyl)phenyl]methyl heptanoate
CID 122421013
2-phenoxyethyl pentadecanoate
CID 21424175
phenacyl tetradecanoate
CID 15920280
2-phenoxyethyl undecanoate
CID 54508523
phenacyl octadecanoate
CID 14178755

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-methyl-2-phenyl-5H-1,3-oxazol-4-yl]methyl dodecanoate?
The IUPAC name of [(4R)-4-methyl-2-phenyl-5H-1,3-oxazol-4-yl]methyl dodecanoate (CID 98564890) is [(4R)-4-methyl-2-phenyl-5H-1,3-oxazol-4-yl]methyl dodecanoate.
What is the SMILES notation for [(4R)-4-methyl-2-phenyl-5H-1,3-oxazol-4-yl]methyl dodecanoate?
The canonical SMILES for [(4R)-4-methyl-2-phenyl-5H-1,3-oxazol-4-yl]methyl dodecanoate is CCCCCCCCCCCC(=O)OC[C@@]1(C)COC(c2ccccc2)=N1.
What is the InChIKey of [(4R)-4-methyl-2-phenyl-5H-1,3-oxazol-4-yl]methyl dodecanoate?
The InChIKey is VTCZCBWNQMSXCP-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H35NO3/c1-3-4-5-6-7-8-9-10-14-17-21(25)26-18-23(2)19-27-22(24-23)20-15-12-11-13-16-20/h11-13,15-16H,3-10,14,17-19H2,1-2H3/t23-/m0/s1.
What are the key properties of [(4R)-4-methyl-2-phenyl-5H-1,3-oxazol-4-yl]methyl dodecanoate?
[(4R)-4-methyl-2-phenyl-5H-1,3-oxazol-4-yl]methyl dodecanoate has a molecular weight of 373.54 g/mol, XLogP of 5.69, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-methyl-2-phenyl-5H-1,3-oxazol-4-yl]methyl dodecanoate is sourced from PubChem (CID 98564890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).