(5-phenyl-1,3-oxazol-2-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate

C24H20N2O5 — CID 8578893

IUPAC(5-phenyl-1,3-oxazol-2-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)OCc1ncc(-c2ccccc2)o1)c1ccco1
InChIInChI=1S/C24H20N2O5/c27-23(20-12-7-13-29-20)26-19(14-17-8-3-1-4-9-17)24(28)30-16-22-25-15-21(31-22)18-10-5-2-6-11-18/h1-13,15,19H,14,16H2,(H,26,27)/t19-/m0/s1
InChIKeyJMBBMEUSZKYNKQ-IBGZPJMESA-N
MW416.43 g/mol
LogP4.02
Rot. Bonds8

About (5-phenyl-1,3-oxazol-2-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate

(5-phenyl-1,3-oxazol-2-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate (PubChem CID 8578893) has the molecular formula C24H20N2O5 and a molecular weight of 416.43 g/mol. Its IUPAC name is (5-phenyl-1,3-oxazol-2-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate.

Molecular Properties

Compound Name(5-phenyl-1,3-oxazol-2-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
PubChem CID8578893
Molecular FormulaC24H20N2O5
Molecular Weight416.43 g/mol
Exact Mass416.14
IUPAC Name(5-phenyl-1,3-oxazol-2-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)OCc1ncc(-c2ccccc2)o1)c1ccco1
InChIInChI=1S/C24H20N2O5/c27-23(20-12-7-13-29-20)26-19(14-17-8-3-1-4-9-17)24(28)30-16-22-25-15-21(31-22)18-10-5-2-6-11-18/h1-13,15,19H,14,16H2,(H,26,27)/t19-/m0/s1
InChIKeyJMBBMEUSZKYNKQ-IBGZPJMESA-N
XLogP4.02
TPSA94.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-phenyl-1,3-oxazol-2-yl)methyl (2R)-2-(furan-2-carbonylamino)propanoate
CID 51900243
ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 43877560
(4-chlorophenyl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 8578858
(2-methoxyphenyl)methyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 78761330
benzyl 2-amino-3-(5-phenyl-1,3-oxazol-2-yl)propanoate
CID 72648141
methyl 3-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]oxymethyl]furan-2-carboxylate
CID 55935790
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 35417786
[(E)-but-2-enyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55936409
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7567017
3-pyridin-3-ylpropyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 78772681
[(2S)-2-benzamido-3-phenylpropyl] (2R)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 127025927
3-pyridin-4-ylpropyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 78772298

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
The IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate (CID 8578893) is (5-phenyl-1,3-oxazol-2-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate.
What is the SMILES notation for (5-phenyl-1,3-oxazol-2-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
The canonical SMILES for (5-phenyl-1,3-oxazol-2-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate is O=C(N[C@@H](Cc1ccccc1)C(=O)OCc1ncc(-c2ccccc2)o1)c1ccco1.
What is the InChIKey of (5-phenyl-1,3-oxazol-2-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
The InChIKey is JMBBMEUSZKYNKQ-IBGZPJMESA-N. The full InChI is InChI=1S/C24H20N2O5/c27-23(20-12-7-13-29-20)26-19(14-17-8-3-1-4-9-17)24(28)30-16-22-25-15-21(31-22)18-10-5-2-6-11-18/h1-13,15,19H,14,16H2,(H,26,27)/t19-/m0/s1.
What are the key properties of (5-phenyl-1,3-oxazol-2-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
(5-phenyl-1,3-oxazol-2-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate has a molecular weight of 416.43 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3-oxazol-2-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate is sourced from PubChem (CID 8578893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).