(2-phenyl-1,3-oxazol-4-yl)methyl 3-[(2-phenylacetyl)amino]propanoate

C21H20N2O4 — CID 55508930

IUPAC(2-phenyl-1,3-oxazol-4-yl)methyl 3-[(2-phenylacetyl)amino]propanoate
SMILESO=C(Cc1ccccc1)NCCC(=O)OCc1coc(-c2ccccc2)n1
InChIInChI=1S/C21H20N2O4/c24-19(13-16-7-3-1-4-8-16)22-12-11-20(25)26-14-18-15-27-21(23-18)17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H,22,24)
InChIKeyAHFWZIZPRXBEMV-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.13
Rot. Bonds8

About (2-phenyl-1,3-oxazol-4-yl)methyl 3-[(2-phenylacetyl)amino]propanoate

(2-phenyl-1,3-oxazol-4-yl)methyl 3-[(2-phenylacetyl)amino]propanoate (PubChem CID 55508930) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is (2-phenyl-1,3-oxazol-4-yl)methyl 3-[(2-phenylacetyl)amino]propanoate.

Molecular Properties

Compound Name(2-phenyl-1,3-oxazol-4-yl)methyl 3-[(2-phenylacetyl)amino]propanoate
PubChem CID55508930
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name(2-phenyl-1,3-oxazol-4-yl)methyl 3-[(2-phenylacetyl)amino]propanoate
SMILESO=C(Cc1ccccc1)NCCC(=O)OCc1coc(-c2ccccc2)n1
InChIInChI=1S/C21H20N2O4/c24-19(13-16-7-3-1-4-8-16)22-12-11-20(25)26-14-18-15-27-21(23-18)17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H,22,24)
InChIKeyAHFWZIZPRXBEMV-UHFFFAOYSA-N
XLogP3.13
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-phenyl-1,3-oxazol-4-yl)methyl 3-(4-methoxyphenyl)propanoate
CID 31718301
2-methyl-N-[2-[[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]amino]ethyl]propanamide
CID 39436445
N-[2-(3-fluorophenyl)ethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 29292797
[2-(furan-2-carbonylamino)-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 55459622
N-(2-aminoethyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 119385455
N-[2-(2-fluorophenyl)ethyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 39441204
methyl 3-[[N'-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]carbamimidoyl]amino]propanoate
CID 111551824
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 55449145
(5-phenyl-1,2-oxazol-3-yl)methyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 55449171
2-(2-phenyl-1,3-oxazol-4-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 34810970
(2-phenyl-1,3-oxazol-4-yl)methyl 3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 51644899
ethyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 15567335

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-oxazol-4-yl)methyl 3-[(2-phenylacetyl)amino]propanoate?
The IUPAC name of (2-phenyl-1,3-oxazol-4-yl)methyl 3-[(2-phenylacetyl)amino]propanoate (CID 55508930) is (2-phenyl-1,3-oxazol-4-yl)methyl 3-[(2-phenylacetyl)amino]propanoate.
What is the SMILES notation for (2-phenyl-1,3-oxazol-4-yl)methyl 3-[(2-phenylacetyl)amino]propanoate?
The canonical SMILES for (2-phenyl-1,3-oxazol-4-yl)methyl 3-[(2-phenylacetyl)amino]propanoate is O=C(Cc1ccccc1)NCCC(=O)OCc1coc(-c2ccccc2)n1.
What is the InChIKey of (2-phenyl-1,3-oxazol-4-yl)methyl 3-[(2-phenylacetyl)amino]propanoate?
The InChIKey is AHFWZIZPRXBEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c24-19(13-16-7-3-1-4-8-16)22-12-11-20(25)26-14-18-15-27-21(23-18)17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H,22,24).
What are the key properties of (2-phenyl-1,3-oxazol-4-yl)methyl 3-[(2-phenylacetyl)amino]propanoate?
(2-phenyl-1,3-oxazol-4-yl)methyl 3-[(2-phenylacetyl)amino]propanoate has a molecular weight of 364.40 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-oxazol-4-yl)methyl 3-[(2-phenylacetyl)amino]propanoate is sourced from PubChem (CID 55508930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).