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

C18H17NO3 — CID 10685281

IUPACmethyl (4S,5S)-5-methyl-2,4-diphenyl-4H-1,3-oxazole-5-carboxylate
SMILESCOC(=O)[C@@]1(C)OC(c2ccccc2)=N[C@H]1c1ccccc1
InChIInChI=1S/C18H17NO3/c1-18(17(20)21-2)15(13-9-5-3-6-10-13)19-16(22-18)14-11-7-4-8-12-14/h3-12,15H,1-2H3/t15-,18-/m0/s1
InChIKeyDLUDYZTZLUDXSQ-YJBOKZPZSA-N
MW295.34 g/mol
LogP3.14
Rot. Bonds3

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

methyl (4S,5S)-5-methyl-2,4-diphenyl-4H-1,3-oxazole-5-carboxylate (PubChem CID 10685281) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl (4S,5S)-5-methyl-2,4-diphenyl-4H-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl (4S,5S)-5-methyl-2,4-diphenyl-4H-1,3-oxazole-5-carboxylate
PubChem CID10685281
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Namemethyl (4S,5S)-5-methyl-2,4-diphenyl-4H-1,3-oxazole-5-carboxylate
SMILESCOC(=O)[C@@]1(C)OC(c2ccccc2)=N[C@H]1c1ccccc1
InChIInChI=1S/C18H17NO3/c1-18(17(20)21-2)15(13-9-5-3-6-10-13)19-16(22-18)14-11-7-4-8-12-14/h3-12,15H,1-2H3/t15-,18-/m0/s1
InChIKeyDLUDYZTZLUDXSQ-YJBOKZPZSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (4S,5S)-5-benzyl-2,4-diphenyl-4H-1,3-oxazole-5-carboxylate
CID 11793583
tert-butyl 1,7,8-tritert-butyl-3,5-diphenyl-2-oxa-4-azabicyclo[4.2.0]octa-3,7-diene-6-carboxylate
CID 14196119
methyl (4R,5S)-4-benzyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylate
CID 10761738
methyl 4-ethyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylate
CID 571094
trans-methyl (1S,2R)-2-phenyl-1-trimethylsilylcyclopropane-1-carboxylate
CID 44612781
methyl 5-methyl-2-phenyl-1,3-dioxane-5-carboxylate
CID 142132815
dimethyl 4-methyl-2,5-diphenyl-2,3-dihydropyrrole-3,4-dicarboxylate
CID 171976789
dimethyl (1R,2S)-1,2-dimethyl-3,4-diphenylcyclobut-3-ene-1,2-dicarboxylate
CID 100937971
methyl (2S,3S)-3-methyl-5-(4-nitrophenyl)-2-phenyl-2,4-dihydropyrrole-3-carboxylate
CID 102257815
methyl 4-(1-hydroxyethyl)-5-methyl-2-phenyl-5H-1,3-oxazole-4-carboxylate
CID 570115
methyl (4R)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate
CID 11150585
methyl (4S,5S)-2,5-diphenyl-4-[(4-propan-2-ylphenyl)methyl]-5H-1,3-oxazole-4-carboxylate
CID 130327798

Frequently Asked Questions

What is the IUPAC name of methyl (4S,5S)-5-methyl-2,4-diphenyl-4H-1,3-oxazole-5-carboxylate?
The IUPAC name of methyl (4S,5S)-5-methyl-2,4-diphenyl-4H-1,3-oxazole-5-carboxylate (CID 10685281) is methyl (4S,5S)-5-methyl-2,4-diphenyl-4H-1,3-oxazole-5-carboxylate.
What is the SMILES notation for methyl (4S,5S)-5-methyl-2,4-diphenyl-4H-1,3-oxazole-5-carboxylate?
The canonical SMILES for methyl (4S,5S)-5-methyl-2,4-diphenyl-4H-1,3-oxazole-5-carboxylate is COC(=O)[C@@]1(C)OC(c2ccccc2)=N[C@H]1c1ccccc1.
What is the InChIKey of methyl (4S,5S)-5-methyl-2,4-diphenyl-4H-1,3-oxazole-5-carboxylate?
The InChIKey is DLUDYZTZLUDXSQ-YJBOKZPZSA-N. The full InChI is InChI=1S/C18H17NO3/c1-18(17(20)21-2)15(13-9-5-3-6-10-13)19-16(22-18)14-11-7-4-8-12-14/h3-12,15H,1-2H3/t15-,18-/m0/s1.
What are the key properties of methyl (4S,5S)-5-methyl-2,4-diphenyl-4H-1,3-oxazole-5-carboxylate?
methyl (4S,5S)-5-methyl-2,4-diphenyl-4H-1,3-oxazole-5-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S,5S)-5-methyl-2,4-diphenyl-4H-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 10685281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).