[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-[(2-phenylacetyl)amino]benzoate

C23H18N2O5 — CID 8809666

IUPAC[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-[(2-phenylacetyl)amino]benzoate
SMILESO=C(Cc1ccccc1)Nc1ccccc1C(=O)OCc1cc(-c2ccco2)on1
InChIInChI=1S/C23H18N2O5/c26-22(13-16-7-2-1-3-8-16)24-19-10-5-4-9-18(19)23(27)29-15-17-14-21(30-25-17)20-11-6-12-28-20/h1-12,14H,13,15H2,(H,24,26)
InChIKeyGSLBKOKORSJLSK-UHFFFAOYSA-N
MW402.41 g/mol
LogP4.47
Rot. Bonds7

About [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-[(2-phenylacetyl)amino]benzoate

[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-[(2-phenylacetyl)amino]benzoate (PubChem CID 8809666) has the molecular formula C23H18N2O5 and a molecular weight of 402.41 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-[(2-phenylacetyl)amino]benzoate.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-[(2-phenylacetyl)amino]benzoate
PubChem CID8809666
Molecular FormulaC23H18N2O5
Molecular Weight402.41 g/mol
Exact Mass402.12
IUPAC Name[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-[(2-phenylacetyl)amino]benzoate
SMILESO=C(Cc1ccccc1)Nc1ccccc1C(=O)OCc1cc(-c2ccco2)on1
InChIInChI=1S/C23H18N2O5/c26-22(13-16-7-2-1-3-8-16)24-19-10-5-4-9-18(19)23(27)29-15-17-14-21(30-25-17)20-11-6-12-28-20/h1-12,14H,13,15H2,(H,24,26)
InChIKeyGSLBKOKORSJLSK-UHFFFAOYSA-N
XLogP4.47
TPSA94.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[2-[5-(furan-2-yl)-1,2-oxazol-3-yl]acetyl]amino]benzoate
CID 30850547
N-(2-benzoylphenyl)-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]acetamide
CID 17254324
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-benzoylbenzoate
CID 8808452
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 8631782
(5-phenyl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonylamino)benzoate
CID 55538730
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-pyridin-4-ylquinoline-4-carboxylate
CID 154799956
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-(2-chlorophenyl)acetate
CID 40752868
(3-ethyl-1,2,4-oxadiazol-5-yl)methyl 2-[(2-phenylacetyl)amino]benzoate
CID 55540086
(5-phenyl-1,2-oxazol-3-yl)methyl 2-(methanesulfonamido)benzoate
CID 24530422
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(2-phenylacetyl)amino]benzoate
CID 46528666
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 8561749
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2H-chromene-3-carboxylate
CID 8749200

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-[(2-phenylacetyl)amino]benzoate?
The IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-[(2-phenylacetyl)amino]benzoate (CID 8809666) is [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-[(2-phenylacetyl)amino]benzoate.
What is the SMILES notation for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-[(2-phenylacetyl)amino]benzoate?
The canonical SMILES for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-[(2-phenylacetyl)amino]benzoate is O=C(Cc1ccccc1)Nc1ccccc1C(=O)OCc1cc(-c2ccco2)on1.
What is the InChIKey of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-[(2-phenylacetyl)amino]benzoate?
The InChIKey is GSLBKOKORSJLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O5/c26-22(13-16-7-2-1-3-8-16)24-19-10-5-4-9-18(19)23(27)29-15-17-14-21(30-25-17)20-11-6-12-28-20/h1-12,14H,13,15H2,(H,24,26).
What are the key properties of [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-[(2-phenylacetyl)amino]benzoate?
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-[(2-phenylacetyl)amino]benzoate has a molecular weight of 402.41 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-[(2-phenylacetyl)amino]benzoate is sourced from PubChem (CID 8809666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).