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

C17H15NO3 — CID 46201142

IUPACbenzyl (4S)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESO=C(OCc1ccccc1)[C@@H]1COC(c2ccccc2)=N1
InChIInChI=1S/C17H15NO3/c19-17(21-11-13-7-3-1-4-8-13)15-12-20-16(18-15)14-9-5-2-6-10-14/h1-10,15H,11-12H2/t15-/m0/s1
InChIKeyFYUZXXDEUFNIPR-HNNXBMFYSA-N
MW281.31 g/mol
LogP2.58
Rot. Bonds4

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

benzyl (4S)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 46201142) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is benzyl (4S)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namebenzyl (4S)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID46201142
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Namebenzyl (4S)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESO=C(OCc1ccccc1)[C@@H]1COC(c2ccccc2)=N1
InChIInChI=1S/C17H15NO3/c19-17(21-11-13-7-3-1-4-8-13)15-12-20-16(18-15)14-9-5-2-6-10-14/h1-10,15H,11-12H2/t15-/m0/s1
InChIKeyFYUZXXDEUFNIPR-HNNXBMFYSA-N
XLogP2.58
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (4S)-2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 46201175
benzyl (4S)-2-(3-fluoro-4-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 46201338
benzyl 2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate;methane
CID 157346143
[4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methyl prop-2-enoate
CID 102392386
benzyl (4S)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxyphenyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 66574427
benzyl 2-oxooxetane-3-carboxylate
CID 102128365
benzyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 14998593
benzyl 3-methyl-2H-azirine-2-carboxylate
CID 121219236
methyl 2-[4-(3-hydroxypropoxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 74179993
dibenzyl bicyclo[2.2.2]octane-2,3-dicarboxylate
CID 90715861
benzyl 2,5-dioxocyclopentane-1-carboxylate
CID 59459130
cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylate
CID 154728884

Frequently Asked Questions

What is the IUPAC name of benzyl (4S)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of benzyl (4S)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 46201142) is benzyl (4S)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for benzyl (4S)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for benzyl (4S)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate is O=C(OCc1ccccc1)[C@@H]1COC(c2ccccc2)=N1.
What is the InChIKey of benzyl (4S)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is FYUZXXDEUFNIPR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H15NO3/c19-17(21-11-13-7-3-1-4-8-13)15-12-20-16(18-15)14-9-5-2-6-10-14/h1-10,15H,11-12H2/t15-/m0/s1.
What are the key properties of benzyl (4S)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
benzyl (4S)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (4S)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 46201142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).