(5-phenyl-1,3-oxazol-2-yl)methyl (2S)-2-phenylbutanoate

C20H19NO3 — CID 9467187

IUPAC(5-phenyl-1,3-oxazol-2-yl)methyl (2S)-2-phenylbutanoate
SMILESCC[C@H](C(=O)OCc1ncc(-c2ccccc2)o1)c1ccccc1
InChIInChI=1S/C20H19NO3/c1-2-17(15-9-5-3-6-10-15)20(22)23-14-19-21-13-18(24-19)16-11-7-4-8-12-16/h3-13,17H,2,14H2,1H3/t17-/m0/s1
InChIKeyNJPKUQYOLKERBQ-KRWDZBQOSA-N
MW321.38 g/mol
LogP4.58
Rot. Bonds6

About (5-phenyl-1,3-oxazol-2-yl)methyl (2S)-2-phenylbutanoate

(5-phenyl-1,3-oxazol-2-yl)methyl (2S)-2-phenylbutanoate (PubChem CID 9467187) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is (5-phenyl-1,3-oxazol-2-yl)methyl (2S)-2-phenylbutanoate.

Molecular Properties

Compound Name(5-phenyl-1,3-oxazol-2-yl)methyl (2S)-2-phenylbutanoate
PubChem CID9467187
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name(5-phenyl-1,3-oxazol-2-yl)methyl (2S)-2-phenylbutanoate
SMILESCC[C@H](C(=O)OCc1ncc(-c2ccccc2)o1)c1ccccc1
InChIInChI=1S/C20H19NO3/c1-2-17(15-9-5-3-6-10-15)20(22)23-14-19-21-13-18(24-19)16-11-7-4-8-12-16/h3-13,17H,2,14H2,1H3/t17-/m0/s1
InChIKeyNJPKUQYOLKERBQ-KRWDZBQOSA-N
XLogP4.58
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-phenyl-1,3-oxazol-2-yl)methyl 2-methylfuran-3-carboxylate
CID 8968981
(5-phenyl-1,3-oxazol-2-yl)methyl (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 9454592
(5-phenyl-1,3-oxazol-2-yl)methyl 2,5-dimethylfuran-3-carboxylate
CID 8861226
(5-phenyl-1,3-oxazol-2-yl)methyl 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 46789897
(5-phenyl-1,3-oxazol-2-yl)methyl (2R)-2-(furan-2-carbonylamino)propanoate
CID 51900243
(5-phenyl-1,3-oxazol-2-yl)methyl 3-hydroxybenzoate
CID 7790163
(5-phenyl-1,3-oxazol-2-yl)methyl (2S)-2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate
CID 8846040
(5-phenyl-1,3-oxazol-2-yl)methyl 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate
CID 9066783
[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 2-hydroxy-2-methyl-3-phenylbutanoate
CID 75424220
(5-phenyl-1,3-oxazol-2-yl)methyl 2-nitrobenzoate
CID 9454725
(5-phenyl-1,3-oxazol-2-yl)methyl 4-ethoxy-3-methoxybenzoate
CID 7811686
(5-phenyl-1,3-oxazol-2-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 8578893

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl (2S)-2-phenylbutanoate?
The IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl (2S)-2-phenylbutanoate (CID 9467187) is (5-phenyl-1,3-oxazol-2-yl)methyl (2S)-2-phenylbutanoate.
What is the SMILES notation for (5-phenyl-1,3-oxazol-2-yl)methyl (2S)-2-phenylbutanoate?
The canonical SMILES for (5-phenyl-1,3-oxazol-2-yl)methyl (2S)-2-phenylbutanoate is CC[C@H](C(=O)OCc1ncc(-c2ccccc2)o1)c1ccccc1.
What is the InChIKey of (5-phenyl-1,3-oxazol-2-yl)methyl (2S)-2-phenylbutanoate?
The InChIKey is NJPKUQYOLKERBQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H19NO3/c1-2-17(15-9-5-3-6-10-15)20(22)23-14-19-21-13-18(24-19)16-11-7-4-8-12-16/h3-13,17H,2,14H2,1H3/t17-/m0/s1.
What are the key properties of (5-phenyl-1,3-oxazol-2-yl)methyl (2S)-2-phenylbutanoate?
(5-phenyl-1,3-oxazol-2-yl)methyl (2S)-2-phenylbutanoate has a molecular weight of 321.38 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3-oxazol-2-yl)methyl (2S)-2-phenylbutanoate is sourced from PubChem (CID 9467187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).