(5-phenyl-1,2-oxazol-3-yl)methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate

C22H20N2O4 — CID 8568914

IUPAC(5-phenyl-1,2-oxazol-3-yl)methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate
SMILESO=C(/C=C/c1ccccc1)NCCC(=O)OCc1cc(-c2ccccc2)on1
InChIInChI=1S/C22H20N2O4/c25-21(12-11-17-7-3-1-4-8-17)23-14-13-22(26)27-16-19-15-20(28-24-19)18-9-5-2-6-10-18/h1-12,15H,13-14,16H2,(H,23,25)/b12-11+
InChIKeyDXUQFCKBHPRUHF-VAWYXSNFSA-N
MW376.41 g/mol
LogP3.60
Rot. Bonds8

About (5-phenyl-1,2-oxazol-3-yl)methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate

(5-phenyl-1,2-oxazol-3-yl)methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate (PubChem CID 8568914) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is (5-phenyl-1,2-oxazol-3-yl)methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate.

Molecular Properties

Compound Name(5-phenyl-1,2-oxazol-3-yl)methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate
PubChem CID8568914
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name(5-phenyl-1,2-oxazol-3-yl)methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate
SMILESO=C(/C=C/c1ccccc1)NCCC(=O)OCc1cc(-c2ccccc2)on1
InChIInChI=1S/C22H20N2O4/c25-21(12-11-17-7-3-1-4-8-17)23-14-13-22(26)27-16-19-15-20(28-24-19)18-9-5-2-6-10-18/h1-12,15H,13-14,16H2,(H,23,25)/b12-11+
InChIKeyDXUQFCKBHPRUHF-VAWYXSNFSA-N
XLogP3.60
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl (Z)-3-phenylprop-2-enoate
CID 16869469
(5-phenyl-1,2-oxazol-3-yl)methyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 55449171
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
(E)-N-[[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl]-3-phenylprop-2-enamide
CID 178186548
(5-phenyl-1,2-oxazol-3-yl)methyl 4-(3,4-dimethoxyphenyl)-4-oxobutanoate
CID 39968645
(Z)-3-(1,3-benzoxazol-2-yl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]prop-2-enamide
CID 97462691
(5-phenyl-1,2-oxazol-3-yl)methyl 2-hydroxy-2,2-diphenylacetate
CID 8579182
(5-phenyl-1,2-oxazol-3-yl)methyl 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11937894
(2-phenyl-1,3-thiazol-4-yl)methyl 3-(2-phenylethenylsulfonylamino)propanoate
CID 4797496
(5-phenyl-1,2-oxazol-3-yl)methyl 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate
CID 16601599
(5-phenyl-1,2-oxazol-3-yl)methyl 3-(2,4-dioxoquinazolin-1-yl)propanoate
CID 42089701
(5-phenyl-1,2-oxazol-3-yl)methyl 3-[4-(diethylsulfamoyl)phenyl]propanoate
CID 55403615

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,2-oxazol-3-yl)methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate?
The IUPAC name of (5-phenyl-1,2-oxazol-3-yl)methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate (CID 8568914) is (5-phenyl-1,2-oxazol-3-yl)methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate.
What is the SMILES notation for (5-phenyl-1,2-oxazol-3-yl)methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate?
The canonical SMILES for (5-phenyl-1,2-oxazol-3-yl)methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate is O=C(/C=C/c1ccccc1)NCCC(=O)OCc1cc(-c2ccccc2)on1.
What is the InChIKey of (5-phenyl-1,2-oxazol-3-yl)methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate?
The InChIKey is DXUQFCKBHPRUHF-VAWYXSNFSA-N. The full InChI is InChI=1S/C22H20N2O4/c25-21(12-11-17-7-3-1-4-8-17)23-14-13-22(26)27-16-19-15-20(28-24-19)18-9-5-2-6-10-18/h1-12,15H,13-14,16H2,(H,23,25)/b12-11+.
What are the key properties of (5-phenyl-1,2-oxazol-3-yl)methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate?
(5-phenyl-1,2-oxazol-3-yl)methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate has a molecular weight of 376.41 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,2-oxazol-3-yl)methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate is sourced from PubChem (CID 8568914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).