(5-phenyl-1,3-oxazol-2-yl)methyl (2R)-2-(furan-2-carbonylamino)propanoate

C18H16N2O5 — CID 51900243

IUPAC(5-phenyl-1,3-oxazol-2-yl)methyl (2R)-2-(furan-2-carbonylamino)propanoate
SMILESC[C@@H](NC(=O)c1ccco1)C(=O)OCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C18H16N2O5/c1-12(20-17(21)14-8-5-9-23-14)18(22)24-11-16-19-10-15(25-16)13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeyXCWGFIUKFSTSDW-GFCCVEGCSA-N
MW340.33 g/mol
LogP2.80
Rot. Bonds6

About (5-phenyl-1,3-oxazol-2-yl)methyl (2R)-2-(furan-2-carbonylamino)propanoate

(5-phenyl-1,3-oxazol-2-yl)methyl (2R)-2-(furan-2-carbonylamino)propanoate (PubChem CID 51900243) has the molecular formula C18H16N2O5 and a molecular weight of 340.33 g/mol. Its IUPAC name is (5-phenyl-1,3-oxazol-2-yl)methyl (2R)-2-(furan-2-carbonylamino)propanoate.

Molecular Properties

Compound Name(5-phenyl-1,3-oxazol-2-yl)methyl (2R)-2-(furan-2-carbonylamino)propanoate
PubChem CID51900243
Molecular FormulaC18H16N2O5
Molecular Weight340.33 g/mol
Exact Mass340.11
IUPAC Name(5-phenyl-1,3-oxazol-2-yl)methyl (2R)-2-(furan-2-carbonylamino)propanoate
SMILESC[C@@H](NC(=O)c1ccco1)C(=O)OCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C18H16N2O5/c1-12(20-17(21)14-8-5-9-23-14)18(22)24-11-16-19-10-15(25-16)13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeyXCWGFIUKFSTSDW-GFCCVEGCSA-N
XLogP2.80
TPSA94.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-phenyl-1,3-oxazol-2-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 8578893
(5-phenyl-1,3-oxazol-2-yl)methyl (2S)-2-phenylbutanoate
CID 9467187
(1-phenyltetrazol-5-yl)methyl (2S)-2-(furan-2-carbonylamino)propanoate
CID 24530129
benzyl 2-amino-3-(5-phenyl-1,3-oxazol-2-yl)propanoate
CID 72648141
(5-phenyl-1,3-oxazol-2-yl)methyl 2-methylfuran-3-carboxylate
CID 8968981
(5-phenyl-1,3-oxazol-2-yl)methyl 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate
CID 46789897
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
methyl 2-[2-(furan-2-carbonylamino)propanoyloxymethyl]furan-3-carboxylate
CID 42936087
[3-(trifluoromethyl)phenyl]methyl (2R)-2-(furan-2-carbonylamino)propanoate
CID 2427745
(5-phenyl-1,3-oxazol-2-yl)methyl 2,5-dimethylfuran-3-carboxylate
CID 8861226
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2R)-2-(furan-2-carbonylamino)propanoate
CID 2459579
[1-(difluoromethyl)benzimidazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)propanoate
CID 32739273

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl (2R)-2-(furan-2-carbonylamino)propanoate?
The IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl (2R)-2-(furan-2-carbonylamino)propanoate (CID 51900243) is (5-phenyl-1,3-oxazol-2-yl)methyl (2R)-2-(furan-2-carbonylamino)propanoate.
What is the SMILES notation for (5-phenyl-1,3-oxazol-2-yl)methyl (2R)-2-(furan-2-carbonylamino)propanoate?
The canonical SMILES for (5-phenyl-1,3-oxazol-2-yl)methyl (2R)-2-(furan-2-carbonylamino)propanoate is C[C@@H](NC(=O)c1ccco1)C(=O)OCc1ncc(-c2ccccc2)o1.
What is the InChIKey of (5-phenyl-1,3-oxazol-2-yl)methyl (2R)-2-(furan-2-carbonylamino)propanoate?
The InChIKey is XCWGFIUKFSTSDW-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H16N2O5/c1-12(20-17(21)14-8-5-9-23-14)18(22)24-11-16-19-10-15(25-16)13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,20,21)/t12-/m1/s1.
What are the key properties of (5-phenyl-1,3-oxazol-2-yl)methyl (2R)-2-(furan-2-carbonylamino)propanoate?
(5-phenyl-1,3-oxazol-2-yl)methyl (2R)-2-(furan-2-carbonylamino)propanoate has a molecular weight of 340.33 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3-oxazol-2-yl)methyl (2R)-2-(furan-2-carbonylamino)propanoate is sourced from PubChem (CID 51900243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).