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

C24H21NO3 — CID 132551094

IUPACbenzyl (4S)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate
SMILESO=C(OCc1ccccc1)[C@]1(Cc2ccccc2)COC(c2ccccc2)=N1
InChIInChI=1S/C24H21NO3/c26-23(27-17-20-12-6-2-7-13-20)24(16-19-10-4-1-5-11-19)18-28-22(25-24)21-14-8-3-9-15-21/h1-15H,16-18H2/t24-/m0/s1
InChIKeyHNFNVLADLPXHRH-DEOSSOPVSA-N
MW371.44 g/mol
LogP4.19
Rot. Bonds6

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

benzyl (4S)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate (PubChem CID 132551094) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is benzyl (4S)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namebenzyl (4S)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate
PubChem CID132551094
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Namebenzyl (4S)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate
SMILESO=C(OCc1ccccc1)[C@]1(Cc2ccccc2)COC(c2ccccc2)=N1
InChIInChI=1S/C24H21NO3/c26-23(27-17-20-12-6-2-7-13-20)24(16-19-10-4-1-5-11-19)18-28-22(25-24)21-14-8-3-9-15-21/h1-15H,16-18H2/t24-/m0/s1
InChIKeyHNFNVLADLPXHRH-DEOSSOPVSA-N
XLogP4.19
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (4R)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate
CID 11150585
methyl (4S)-4-[(4-fluorophenyl)methyl]-2-phenyl-5H-1,3-oxazole-4-carboxylate
CID 11313008
tert-butyl (4R)-4-benzyl-2-(4-fluorophenyl)-5H-1,3-oxazole-4-carboxylate
CID 135054964
tert-butyl (4S)-4-benzyl-2-(4-methoxyphenyl)-5H-1,3-oxazole-4-carboxylate
CID 132551102
methyl (4R)-2-phenyl-4-prop-2-ynyl-5H-1,3-oxazole-4-carboxylate
CID 11470557
benzyl (2S)-2-(hydroxymethyl)oxirane-2-carboxylate
CID 130249482
(4S)-4-benzyl-2-[4-(3-hydroxypropoxy)phenyl]-N'-propyl-5H-1,3-oxazole-4-carbohydrazide
CID 23947069
benzyl 2-fluoro-3-phenylazirine-2-carboxylate
CID 146169172
benzyl 1-[1-hydroxyethyl(methyl)amino]cyclopropane-1-carboxylate
CID 123712987
benzyl (4S)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 46201142
(4S)-4-benzyl-2-[4-(3-hydroxypropoxy)phenyl]-N'-pentyl-5H-1,3-oxazole-4-carbohydrazide
CID 23777814
(4S)-N'-benzyl-4-[(4-bromophenyl)methyl]-2-[4-(3-hydroxypropoxy)phenyl]-5H-1,3-oxazole-4-carbohydrazide
CID 23835575

Frequently Asked Questions

What is the IUPAC name of benzyl (4S)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate?
The IUPAC name of benzyl (4S)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate (CID 132551094) is benzyl (4S)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate.
What is the SMILES notation for benzyl (4S)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate?
The canonical SMILES for benzyl (4S)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate is O=C(OCc1ccccc1)[C@]1(Cc2ccccc2)COC(c2ccccc2)=N1.
What is the InChIKey of benzyl (4S)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate?
The InChIKey is HNFNVLADLPXHRH-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H21NO3/c26-23(27-17-20-12-6-2-7-13-20)24(16-19-10-4-1-5-11-19)18-28-22(25-24)21-14-8-3-9-15-21/h1-15H,16-18H2/t24-/m0/s1.
What are the key properties of benzyl (4S)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate?
benzyl (4S)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate has a molecular weight of 371.44 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (4S)-4-benzyl-2-phenyl-5H-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 132551094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).