(2S)-2-[[3-(furan-2-yl)-1,2-oxazol-5-yl]amino]-3-phenylpropanoate

C16H13N2O4- — CID 6928118

IUPAC(2S)-2-[[3-(furan-2-yl)-1,2-oxazol-5-yl]amino]-3-phenylpropanoate
SMILESO=C([O-])[C@H](Cc1ccccc1)Nc1cc(-c2ccco2)no1
InChIInChI=1S/C16H14N2O4/c19-16(20)13(9-11-5-2-1-3-6-11)17-15-10-12(18-22-15)14-7-4-8-21-14/h1-8,10,13,17H,9H2,(H,19,20)/p-1/t13-/m0/s1
InChIKeyKHYCZUUPFBOALT-ZDUSSCGKSA-M
MW297.29 g/mol
LogP1.71
Rot. Bonds6

About (2S)-2-[[3-(furan-2-yl)-1,2-oxazol-5-yl]amino]-3-phenylpropanoate

(2S)-2-[[3-(furan-2-yl)-1,2-oxazol-5-yl]amino]-3-phenylpropanoate (PubChem CID 6928118) has the molecular formula C16H13N2O4- and a molecular weight of 297.29 g/mol. Its IUPAC name is (2S)-2-[[3-(furan-2-yl)-1,2-oxazol-5-yl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Name(2S)-2-[[3-(furan-2-yl)-1,2-oxazol-5-yl]amino]-3-phenylpropanoate
PubChem CID6928118
Molecular FormulaC16H13N2O4-
Molecular Weight297.29 g/mol
Exact Mass297.09
IUPAC Name(2S)-2-[[3-(furan-2-yl)-1,2-oxazol-5-yl]amino]-3-phenylpropanoate
SMILESO=C([O-])[C@H](Cc1ccccc1)Nc1cc(-c2ccco2)no1
InChIInChI=1S/C16H14N2O4/c19-16(20)13(9-11-5-2-1-3-6-11)17-15-10-12(18-22-15)14-7-4-8-21-14/h1-8,10,13,17H,9H2,(H,19,20)/p-1/t13-/m0/s1
InChIKeyKHYCZUUPFBOALT-ZDUSSCGKSA-M
XLogP1.71
TPSA91.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[3-(furan-2-yl)-1,2-oxazol-5-yl]amino]-3-phenylpropanoate?
The IUPAC name of (2S)-2-[[3-(furan-2-yl)-1,2-oxazol-5-yl]amino]-3-phenylpropanoate (CID 6928118) is (2S)-2-[[3-(furan-2-yl)-1,2-oxazol-5-yl]amino]-3-phenylpropanoate.
What is the SMILES notation for (2S)-2-[[3-(furan-2-yl)-1,2-oxazol-5-yl]amino]-3-phenylpropanoate?
The canonical SMILES for (2S)-2-[[3-(furan-2-yl)-1,2-oxazol-5-yl]amino]-3-phenylpropanoate is O=C([O-])[C@H](Cc1ccccc1)Nc1cc(-c2ccco2)no1.
What is the InChIKey of (2S)-2-[[3-(furan-2-yl)-1,2-oxazol-5-yl]amino]-3-phenylpropanoate?
The InChIKey is KHYCZUUPFBOALT-ZDUSSCGKSA-M. The full InChI is InChI=1S/C16H14N2O4/c19-16(20)13(9-11-5-2-1-3-6-11)17-15-10-12(18-22-15)14-7-4-8-21-14/h1-8,10,13,17H,9H2,(H,19,20)/p-1/t13-/m0/s1.
What are the key properties of (2S)-2-[[3-(furan-2-yl)-1,2-oxazol-5-yl]amino]-3-phenylpropanoate?
(2S)-2-[[3-(furan-2-yl)-1,2-oxazol-5-yl]amino]-3-phenylpropanoate has a molecular weight of 297.29 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[3-(furan-2-yl)-1,2-oxazol-5-yl]amino]-3-phenylpropanoate is sourced from PubChem (CID 6928118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).