methyl (4R)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate

C18H17NO3 — CID 11150585

IUPACmethyl (4R)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate
SMILESCOC(=O)[C@@]1(Cc2ccccc2)COC(c2ccccc2)=N1
InChIInChI=1S/C18H17NO3/c1-21-17(20)18(12-14-8-4-2-5-9-14)13-22-16(19-18)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3/t18-/m1/s1
InChIKeySEEURQMGVYAVFH-GOSISDBHSA-N
MW295.34 g/mol
LogP2.62
Rot. Bonds4

About methyl (4R)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate

methyl (4R)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate (PubChem CID 11150585) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl (4R)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate
PubChem CID11150585
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Namemethyl (4R)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate
SMILESCOC(=O)[C@@]1(Cc2ccccc2)COC(c2ccccc2)=N1
InChIInChI=1S/C18H17NO3/c1-21-17(20)18(12-14-8-4-2-5-9-14)13-22-16(19-18)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3/t18-/m1/s1
InChIKeySEEURQMGVYAVFH-GOSISDBHSA-N
XLogP2.62
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (4S)-4-[(4-fluorophenyl)methyl]-2-phenyl-5H-1,3-oxazole-4-carboxylate
CID 11313008
methyl (4R)-4-benzyl-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carboxylate
CID 24868566
benzyl (4S)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate
CID 132551094
methyl (4R)-2-phenyl-4-prop-2-ynyl-5H-1,3-oxazole-4-carboxylate
CID 11470557
tert-butyl (4S)-4-benzyl-2-(4-methoxyphenyl)-5H-1,3-oxazole-4-carboxylate
CID 132551102
tert-butyl (4R)-4-benzyl-2-(4-fluorophenyl)-5H-1,3-oxazole-4-carboxylate
CID 135054964
(4S)-4-benzyl-2-[4-(3-hydroxypropoxy)phenyl]-N'-propyl-5H-1,3-oxazole-4-carbohydrazide
CID 23947069
(4S)-4-benzyl-2-[4-(3-hydroxypropoxy)phenyl]-N'-pentyl-5H-1,3-oxazole-4-carbohydrazide
CID 23777814
methyl (4R,5S)-4-benzyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylate
CID 10761738
(4R)-4-benzyl-2-[4-(3-hydroxypropoxy)phenyl]-N-[(2,4,6-trimethoxyphenyl)methyl]-5H-1,3-oxazole-4-carboxamide
CID 23864108
(4S)-N'-benzyl-4-[(4-bromophenyl)methyl]-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carbohydrazide
CID 23835575
methyl (4S,5S)-5-benzyl-2,4-diphenyl-4H-1,3-oxazole-5-carboxylate
CID 11793583

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl (4R)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate (CID 11150585) is methyl (4R)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl (4R)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl (4R)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate is COC(=O)[C@@]1(Cc2ccccc2)COC(c2ccccc2)=N1.
What is the InChIKey of methyl (4R)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate?
The InChIKey is SEEURQMGVYAVFH-GOSISDBHSA-N. The full InChI is InChI=1S/C18H17NO3/c1-21-17(20)18(12-14-8-4-2-5-9-14)13-22-16(19-18)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3/t18-/m1/s1.
What are the key properties of methyl (4R)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate?
methyl (4R)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 11150585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).