(2,4,6-trimethylphenyl) 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate

C20H19NO3 — CID 30724380

IUPAC(2,4,6-trimethylphenyl) 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
SMILESCc1cc(C)c(OC(=O)c2nc(-c3ccccc3)oc2C)c(C)c1
InChIInChI=1S/C20H19NO3/c1-12-10-13(2)18(14(3)11-12)24-20(22)17-15(4)23-19(21-17)16-8-6-5-7-9-16/h5-11H,1-4H3
InChIKeyNIGSHCQMPLMHGE-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.79
Rot. Bonds3

About (2,4,6-trimethylphenyl) 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate

(2,4,6-trimethylphenyl) 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate (PubChem CID 30724380) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is (2,4,6-trimethylphenyl) 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Name(2,4,6-trimethylphenyl) 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
PubChem CID30724380
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name(2,4,6-trimethylphenyl) 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
SMILESCc1cc(C)c(OC(=O)c2nc(-c3ccccc3)oc2C)c(C)c1
InChIInChI=1S/C20H19NO3/c1-12-10-13(2)18(14(3)11-12)24-20(22)17-15(4)23-19(21-17)16-8-6-5-7-9-16/h5-11H,1-4H3
InChIKeyNIGSHCQMPLMHGE-UHFFFAOYSA-N
XLogP4.79
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-oxopropyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 55310658
[(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726837
2-hydroxyethyl 5-methyl-2-(4-phenylphenyl)-1,3-oxazole-4-carboxylate
CID 151350857
2,2,2-trifluoroethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 71392848
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 4857240
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 17443218
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 46639103
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 2669364
[2-oxo-2-(4-phenylphenyl)ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7727475
[(1S)-2-oxo-1,2-diphenylethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726289
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726770
N-(diaminomethylidene)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 25103539

Frequently Asked Questions

What is the IUPAC name of (2,4,6-trimethylphenyl) 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
The IUPAC name of (2,4,6-trimethylphenyl) 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate (CID 30724380) is (2,4,6-trimethylphenyl) 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for (2,4,6-trimethylphenyl) 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for (2,4,6-trimethylphenyl) 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate is Cc1cc(C)c(OC(=O)c2nc(-c3ccccc3)oc2C)c(C)c1.
What is the InChIKey of (2,4,6-trimethylphenyl) 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
The InChIKey is NIGSHCQMPLMHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-12-10-13(2)18(14(3)11-12)24-20(22)17-15(4)23-19(21-17)16-8-6-5-7-9-16/h5-11H,1-4H3.
What are the key properties of (2,4,6-trimethylphenyl) 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
(2,4,6-trimethylphenyl) 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-trimethylphenyl) 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 30724380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).