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

C24H21NO3 — CID 10761738

IUPACmethyl (4R,5S)-4-benzyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylate
SMILESCOC(=O)[C@]1(Cc2ccccc2)N=C(c2ccccc2)O[C@H]1c1ccccc1
InChIInChI=1S/C24H21NO3/c1-27-23(26)24(17-18-11-5-2-6-12-18)21(19-13-7-3-8-14-19)28-22(25-24)20-15-9-4-10-16-20/h2-16,21H,17H2,1H3/t21-,24+/m0/s1
InChIKeyIJMDJKRAHQHOSK-XUZZJYLKSA-N
MW371.44 g/mol
LogP4.36
Rot. Bonds5

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

methyl (4R,5S)-4-benzyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylate (PubChem CID 10761738) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is methyl (4R,5S)-4-benzyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R,5S)-4-benzyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylate
PubChem CID10761738
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Namemethyl (4R,5S)-4-benzyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylate
SMILESCOC(=O)[C@]1(Cc2ccccc2)N=C(c2ccccc2)O[C@H]1c1ccccc1
InChIInChI=1S/C24H21NO3/c1-27-23(26)24(17-18-11-5-2-6-12-18)21(19-13-7-3-8-14-19)28-22(25-24)20-15-9-4-10-16-20/h2-16,21H,17H2,1H3/t21-,24+/m0/s1
InChIKeyIJMDJKRAHQHOSK-XUZZJYLKSA-N
XLogP4.36
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (4S,5S)-4-benzyl-2-(4-ethylphenyl)-5-phenyl-5H-1,3-oxazole-4-carboxylate
CID 130360929
methyl (4S,5S)-2,5-diphenyl-4-[(4-propan-2-ylphenyl)methyl]-5H-1,3-oxazole-4-carboxylate
CID 130327798
methyl 4-ethyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylate
CID 571094
methyl (4S,5R)-4-benzyl-5-(furan-2-yl)-2-phenyl-5H-1,3-oxazole-4-carboxylate
CID 130327741
methyl (4R,5R)-4-[(4-bromophenyl)methyl]-2-[4-(3-hydroxypropoxy)phenyl]-5-(4-phenylphenyl)-5H-1,3-oxazole-4-carboxylate
CID 23920263
(4S,5S)-4-benzyl-2-[4-(3-hydroxypropoxy)phenyl]-5-phenyl-5H-1,3-oxazole-4-carboxamide
CID 23834909
(4S,5S)-4-benzyl-2-[4-(3-hydroxypropoxy)phenyl]-N',5-diphenyl-5H-1,3-oxazole-4-carbohydrazide
CID 23806957
(4R,5R)-N,4-dibenzyl-2-[4-(3-hydroxypropoxy)phenyl]-5-(4-phenylphenyl)-5H-1,3-oxazole-4-carboxamide
CID 23891424
methyl (4S,5S)-4-(hydroxymethyl)-2-phenyl-5-propan-2-yl-5H-1,3-oxazole-4-carboxylate
CID 11832702
[2-[[(4R,5R)-2-(4-butoxyphenyl)-4-methoxycarbonyl-5-phenyl-5H-1,3-oxazol-4-yl]methyl]phenyl]methylimino-iminoazanium
CID 160578981
methyl (4R,5R)-5-(2-azidophenyl)-4-benzyl-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carboxylate
CID 23748592
(4S,5S)-4-benzyl-N'-butyl-2-[4-(3-hydroxypropoxy)phenyl]-5-(4-phenylphenyl)-5H-1,3-oxazole-4-carbohydrazide
CID 23975980

Frequently Asked Questions

What is the IUPAC name of methyl (4R,5S)-4-benzyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl (4R,5S)-4-benzyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylate (CID 10761738) is methyl (4R,5S)-4-benzyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl (4R,5S)-4-benzyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl (4R,5S)-4-benzyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylate is COC(=O)[C@]1(Cc2ccccc2)N=C(c2ccccc2)O[C@H]1c1ccccc1.
What is the InChIKey of methyl (4R,5S)-4-benzyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylate?
The InChIKey is IJMDJKRAHQHOSK-XUZZJYLKSA-N. The full InChI is InChI=1S/C24H21NO3/c1-27-23(26)24(17-18-11-5-2-6-12-18)21(19-13-7-3-8-14-19)28-22(25-24)20-15-9-4-10-16-20/h2-16,21H,17H2,1H3/t21-,24+/m0/s1.
What are the key properties of methyl (4R,5S)-4-benzyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylate?
methyl (4R,5S)-4-benzyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylate has a molecular weight of 371.44 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R,5S)-4-benzyl-2,5-diphenyl-5H-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 10761738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).