ethyl 2-methyl-3,5-diphenyl-3H-1,2-oxazole-4-carboxylate

C19H19NO3 — CID 4999266

IUPACethyl 2-methyl-3,5-diphenyl-3H-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)ON(C)C1c1ccccc1
InChIInChI=1S/C19H19NO3/c1-3-22-19(21)16-17(14-10-6-4-7-11-14)20(2)23-18(16)15-12-8-5-9-13-15/h4-13,17H,3H2,1-2H3
InChIKeyPLPYXFSFLOKFPT-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.58
Rot. Bonds4

About ethyl 2-methyl-3,5-diphenyl-3H-1,2-oxazole-4-carboxylate

ethyl 2-methyl-3,5-diphenyl-3H-1,2-oxazole-4-carboxylate (PubChem CID 4999266) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is ethyl 2-methyl-3,5-diphenyl-3H-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-3,5-diphenyl-3H-1,2-oxazole-4-carboxylate
PubChem CID4999266
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Nameethyl 2-methyl-3,5-diphenyl-3H-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)ON(C)C1c1ccccc1
InChIInChI=1S/C19H19NO3/c1-3-22-19(21)16-17(14-10-6-4-7-11-14)20(2)23-18(16)15-12-8-5-9-13-15/h4-13,17H,3H2,1-2H3
InChIKeyPLPYXFSFLOKFPT-UHFFFAOYSA-N
XLogP3.58
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Methyl-3-phenyltetrahydro-5-isoxazolyl)methyl benzenecarboxylate
CID 3660797
N-(3-(Benzoyloxy)-1-methylbutyl)-N-methylbenzamide
CID 90020922
ethyl 4-hydroxy-1-[hydroxy(phenyl)methyl]-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 54733847
ethyl (3S,4R,5S)-2-methyl-3,5-diphenyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate
CID 391367
Dimethyl-2-benzyl-3-(2,6-difluorophenyl)-2,3-dihydroisoxazole-4,5-dicarboxylate
CID 129845169
benzyl 5-tert-butyl-3-phenyl-3H-1,2-oxazole-2-carboxylate
CID 135026865
Ethyl 2-methyl-3,5-diphenyl-5-(trifluoromethyl)-4-isoxazolidinecarboxylate
CID 496477
ethyl (5E)-5-benzylidene-1-methyl-6-oxo-2-phenyl-2H-pyridine-3-carboxylate
CID 6149617
benzyl (1S,2S)-2-[[(1R)-1-phenylethyl]amino]cyclopent-3-ene-1-carboxylate
CID 11131062
diethyl 2-benzyl-3-phenyl-3H-1,2-oxazole-4,5-dicarboxylate
CID 11603339
ethyl 2-[(3R,5S)-2-methyl-3,5-diphenyl-1,2-oxazolidin-3-yl]acetate
CID 11834343
methyl 2,5-dimethyl-3-phenyl-3H-1,2-oxazole-4-carboxylate
CID 13741617

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3,5-diphenyl-3H-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-methyl-3,5-diphenyl-3H-1,2-oxazole-4-carboxylate (CID 4999266) is ethyl 2-methyl-3,5-diphenyl-3H-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-methyl-3,5-diphenyl-3H-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-methyl-3,5-diphenyl-3H-1,2-oxazole-4-carboxylate is CCOC(=O)C1=C(c2ccccc2)ON(C)C1c1ccccc1.
What is the InChIKey of ethyl 2-methyl-3,5-diphenyl-3H-1,2-oxazole-4-carboxylate?
The InChIKey is PLPYXFSFLOKFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-3-22-19(21)16-17(14-10-6-4-7-11-14)20(2)23-18(16)15-12-8-5-9-13-15/h4-13,17H,3H2,1-2H3.
What are the key properties of ethyl 2-methyl-3,5-diphenyl-3H-1,2-oxazole-4-carboxylate?
ethyl 2-methyl-3,5-diphenyl-3H-1,2-oxazole-4-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3,5-diphenyl-3H-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 4999266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).