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

C22H18N2O5S — CID 35417786

IUPAC(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)OCc1cc(-c2cccs2)on1)c1ccco1
InChIInChI=1S/C22H18N2O5S/c25-21(18-8-4-10-27-18)23-17(12-15-6-2-1-3-7-15)22(26)28-14-16-13-19(29-24-16)20-9-5-11-30-20/h1-11,13,17H,12,14H2,(H,23,25)/t17-/m0/s1
InChIKeyMSVNYEVFBURESP-KRWDZBQOSA-N
MW422.46 g/mol
LogP4.08
Rot. Bonds8

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

(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate (PubChem CID 35417786) has the molecular formula C22H18N2O5S and a molecular weight of 422.46 g/mol. Its IUPAC name is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate.

Molecular Properties

Compound Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
PubChem CID35417786
Molecular FormulaC22H18N2O5S
Molecular Weight422.46 g/mol
Exact Mass422.09
IUPAC Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)OCc1cc(-c2cccs2)on1)c1ccco1
InChIInChI=1S/C22H18N2O5S/c25-21(18-8-4-10-27-18)23-17(12-15-6-2-1-3-7-15)22(26)28-14-16-13-19(29-24-16)20-9-5-11-30-20/h1-11,13,17H,12,14H2,(H,23,25)/t17-/m0/s1
InChIKeyMSVNYEVFBURESP-KRWDZBQOSA-N
XLogP4.08
TPSA94.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate with MolForge

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Related Compounds

[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55358067
ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 43877560
(4-chlorophenyl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 8578858
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-benzamido-3-phenylpropanoate
CID 55404439
(5-phenyl-1,3-oxazol-2-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 8578893
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl benzoate
CID 8648321
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 2398164
(2-methoxyphenyl)methyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 78761330
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonylamino)acetate
CID 8749702
3-pyridin-4-ylpropyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 78772298
methyl 3-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]oxymethyl]furan-2-carboxylate
CID 55935790
[(E)-but-2-enyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55936409

Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
The IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate (CID 35417786) is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate.
What is the SMILES notation for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
The canonical SMILES for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate is O=C(N[C@@H](Cc1ccccc1)C(=O)OCc1cc(-c2cccs2)on1)c1ccco1.
What is the InChIKey of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
The InChIKey is MSVNYEVFBURESP-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H18N2O5S/c25-21(18-8-4-10-27-18)23-17(12-15-6-2-1-3-7-15)22(26)28-14-16-13-19(29-24-16)20-9-5-11-30-20/h1-11,13,17H,12,14H2,(H,23,25)/t17-/m0/s1.
What are the key properties of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate has a molecular weight of 422.46 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate is sourced from PubChem (CID 35417786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).