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

C18H17NO3 — CID 12523561

IUPACmethyl 3-methyl-2,5-diphenyl-2H-1,3-oxazole-4-carboxylate
SMILESCOC(=O)C1=C(c2ccccc2)OC(c2ccccc2)N1C
InChIInChI=1S/C18H17NO3/c1-19-15(18(20)21-2)16(13-9-5-3-6-10-13)22-17(19)14-11-7-4-8-12-14/h3-12,17H,1-2H3
InChIKeyLXGSLDIYSYCROW-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.19
Rot. Bonds3

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

methyl 3-methyl-2,5-diphenyl-2H-1,3-oxazole-4-carboxylate (PubChem CID 12523561) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl 3-methyl-2,5-diphenyl-2H-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-2,5-diphenyl-2H-1,3-oxazole-4-carboxylate
PubChem CID12523561
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Namemethyl 3-methyl-2,5-diphenyl-2H-1,3-oxazole-4-carboxylate
SMILESCOC(=O)C1=C(c2ccccc2)OC(c2ccccc2)N1C
InChIInChI=1S/C18H17NO3/c1-19-15(18(20)21-2)16(13-9-5-3-6-10-13)22-17(19)14-11-7-4-8-12-14/h3-12,17H,1-2H3
InChIKeyLXGSLDIYSYCROW-UHFFFAOYSA-N
XLogP3.19
TPSA38.77 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 ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate
CID 981230
tert-Butyl 6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 4533742
Benzyl (2R,4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
CID 10566995
1,1-Dimethylethyl (2S,3R)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 981225
3(2H)-Oxazoleacetic acid, 2-oxo-4,5-diphenyl-
CID 10447200
Cinnamic acid, (2-(dimethylamino)-1-phenyl)ethyl ester
CID 6435001
Cinnamic acid, alpha-((diethylamino)methyl)benzyl ester
CID 6435700
Dibenzylamino-acetic acid benzyl ester
CID 4683020
3-(2-Morpholin-4-yl-2-oxoethyl)-4,5-diphenyl-1,3-oxazol-2-one
CID 42631037
Ethyl 2-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)acetate
CID 44593203
Benzyl (2S)-2-(dibenzylamino)propanoate
CID 10904467
(5S)-3,4,5,6-Tetrahydro-5-phenyl-N-(benzyloxycarbonyl)-4(H)-1,4-oxazin-2-one
CID 10064027

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2,5-diphenyl-2H-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 3-methyl-2,5-diphenyl-2H-1,3-oxazole-4-carboxylate (CID 12523561) is methyl 3-methyl-2,5-diphenyl-2H-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 3-methyl-2,5-diphenyl-2H-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 3-methyl-2,5-diphenyl-2H-1,3-oxazole-4-carboxylate is COC(=O)C1=C(c2ccccc2)OC(c2ccccc2)N1C.
What is the InChIKey of methyl 3-methyl-2,5-diphenyl-2H-1,3-oxazole-4-carboxylate?
The InChIKey is LXGSLDIYSYCROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-19-15(18(20)21-2)16(13-9-5-3-6-10-13)22-17(19)14-11-7-4-8-12-14/h3-12,17H,1-2H3.
What are the key properties of methyl 3-methyl-2,5-diphenyl-2H-1,3-oxazole-4-carboxylate?
methyl 3-methyl-2,5-diphenyl-2H-1,3-oxazole-4-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2,5-diphenyl-2H-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 12523561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).