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

C18H17NO3 — CID 571051

IUPACmethyl 4-methyl-2,4-diphenyl-5H-1,3-oxazole-5-carboxylate
SMILESCOC(=O)C1OC(c2ccccc2)=NC1(C)c1ccccc1
InChIInChI=1S/C18H17NO3/c1-18(14-11-7-4-8-12-14)15(17(20)21-2)22-16(19-18)13-9-5-3-6-10-13/h3-12,15H,1-2H3
InChIKeySKFYGJSXMDALCN-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.92
Rot. Bonds3

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

methyl 4-methyl-2,4-diphenyl-5H-1,3-oxazole-5-carboxylate (PubChem CID 571051) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl 4-methyl-2,4-diphenyl-5H-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2,4-diphenyl-5H-1,3-oxazole-5-carboxylate
PubChem CID571051
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Namemethyl 4-methyl-2,4-diphenyl-5H-1,3-oxazole-5-carboxylate
SMILESCOC(=O)C1OC(c2ccccc2)=NC1(C)c1ccccc1
InChIInChI=1S/C18H17NO3/c1-18(14-11-7-4-8-12-14)15(17(20)21-2)22-16(19-18)13-9-5-3-6-10-13/h3-12,15H,1-2H3
InChIKeySKFYGJSXMDALCN-UHFFFAOYSA-N
XLogP2.92
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,4-Triphenyl-2-oxazolin-5-one
CID 680472
4-Benzyl-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 54091008
(4S)-4-[(1R)-1-(4-fluorophenyl)prop-2-enyl]-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 102582088
(R)-4-(4-fluorophenyl)-4-isopropyl-2-phenyloxazol-5(4H)-one
CID 171341338
5(4H)-Oxazolone, 4-methyl-2,4-diphenyl-
CID 10999497
(4S,5R)-5-(1-ethoxyethoxy)-2,4-diphenyl-4,5-dihydro-1,3-oxazin-6-one
CID 11035176
methyl (4R,5R)-2,4-diphenyl-4,5-dihydrooxazole-5-carboxylate
CID 53739358
(4R)-4-benzyl-4-[(1S)-cyclohex-2-en-1-yl]-2-phenyl-1,3-oxazol-5-one
CID 56974588
(4S)-4-benzyl-4-[(1S)-cyclohex-2-en-1-yl]-2-phenyl-1,3-oxazol-5-one
CID 57166581
methyl (3R)-3-amino-3-(2-fluorophenyl)-2-phenylmethoxybutanoate
CID 126734008
Methyl 3-amino-3-(2-fluorophenyl)-2-phenylmethoxybutanoate
CID 146342845
4-Benzyl-2,4-diphenyl-1,3-oxazol-5-one
CID 11416170

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2,4-diphenyl-5H-1,3-oxazole-5-carboxylate?
The IUPAC name of methyl 4-methyl-2,4-diphenyl-5H-1,3-oxazole-5-carboxylate (CID 571051) is methyl 4-methyl-2,4-diphenyl-5H-1,3-oxazole-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2,4-diphenyl-5H-1,3-oxazole-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2,4-diphenyl-5H-1,3-oxazole-5-carboxylate is COC(=O)C1OC(c2ccccc2)=NC1(C)c1ccccc1.
What is the InChIKey of methyl 4-methyl-2,4-diphenyl-5H-1,3-oxazole-5-carboxylate?
The InChIKey is SKFYGJSXMDALCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-18(14-11-7-4-8-12-14)15(17(20)21-2)22-16(19-18)13-9-5-3-6-10-13/h3-12,15H,1-2H3.
What are the key properties of methyl 4-methyl-2,4-diphenyl-5H-1,3-oxazole-5-carboxylate?
methyl 4-methyl-2,4-diphenyl-5H-1,3-oxazole-5-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2,4-diphenyl-5H-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 571051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).