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

C20H19N3O6 — CID 2398165

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
SMILESCc1cc(NC(=O)COC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)no1
InChIInChI=1S/C20H19N3O6/c1-13-10-17(23-29-13)22-18(24)12-28-20(26)15(11-14-6-3-2-4-7-14)21-19(25)16-8-5-9-27-16/h2-10,15H,11-12H2,1H3,(H,21,25)(H,22,23,24)/t15-/m0/s1
InChIKeyZYYMBBMNVVYCEY-HNNXBMFYSA-N
MW397.39 g/mol
LogP2.10
Rot. Bonds8

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

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate (PubChem CID 2398165) has the molecular formula C20H19N3O6 and a molecular weight of 397.39 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
PubChem CID2398165
Molecular FormulaC20H19N3O6
Molecular Weight397.39 g/mol
Exact Mass397.13
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
SMILESCc1cc(NC(=O)COC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)no1
InChIInChI=1S/C20H19N3O6/c1-13-10-17(23-29-13)22-18(24)12-28-20(26)15(11-14-6-3-2-4-7-14)21-19(25)16-8-5-9-27-16/h2-10,15H,11-12H2,1H3,(H,21,25)(H,22,23,24)/t15-/m0/s1
InChIKeyZYYMBBMNVVYCEY-HNNXBMFYSA-N
XLogP2.10
TPSA123.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate (CID 2398165) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate is Cc1cc(NC(=O)COC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)no1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
The InChIKey is ZYYMBBMNVVYCEY-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H19N3O6/c1-13-10-17(23-29-13)22-18(24)12-28-20(26)15(11-14-6-3-2-4-7-14)21-19(25)16-8-5-9-27-16/h2-10,15H,11-12H2,1H3,(H,21,25)(H,22,23,24)/t15-/m0/s1.
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate has a molecular weight of 397.39 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate is sourced from PubChem (CID 2398165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).