[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-(furan-2-carbonylamino)propanoate

C18H17N3O5 — CID 33301156

IUPAC[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-(furan-2-carbonylamino)propanoate
SMILESC[C@@H](OC(=O)CCNC(=O)c1ccco1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C18H17N3O5/c1-12(17-20-21-18(26-17)13-6-3-2-4-7-13)25-15(22)9-10-19-16(23)14-8-5-11-24-14/h2-8,11-12H,9-10H2,1H3,(H,19,23)/t12-/m1/s1
InChIKeyUALSGRQBPDVKKO-GFCCVEGCSA-N
MW355.35 g/mol
LogP2.75
Rot. Bonds7

About [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-(furan-2-carbonylamino)propanoate

[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-(furan-2-carbonylamino)propanoate (PubChem CID 33301156) has the molecular formula C18H17N3O5 and a molecular weight of 355.35 g/mol. Its IUPAC name is [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-(furan-2-carbonylamino)propanoate.

Molecular Properties

Compound Name[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-(furan-2-carbonylamino)propanoate
PubChem CID33301156
Molecular FormulaC18H17N3O5
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC Name[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-(furan-2-carbonylamino)propanoate
SMILESC[C@@H](OC(=O)CCNC(=O)c1ccco1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C18H17N3O5/c1-12(17-20-21-18(26-17)13-6-3-2-4-7-13)25-15(22)9-10-19-16(23)14-8-5-11-24-14/h2-8,11-12H,9-10H2,1H3,(H,19,23)/t12-/m1/s1
InChIKeyUALSGRQBPDVKKO-GFCCVEGCSA-N
XLogP2.75
TPSA107.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]furan-2-carboxamide
CID 92725599
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-(2-chlorophenyl)propanoate
CID 31012201
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7604905
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(3,4-dimethylphenyl)acetate
CID 7629196
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 8942628
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 8942634
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(benzenesulfonamido)acetate
CID 31012168
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 8943626
[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8735244
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-ethoxyphenoxy)acetate
CID 7628188
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(2,6-dichlorophenyl)acetate
CID 7604320
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 7573250

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-(furan-2-carbonylamino)propanoate?
The IUPAC name of [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-(furan-2-carbonylamino)propanoate (CID 33301156) is [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-(furan-2-carbonylamino)propanoate.
What is the SMILES notation for [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-(furan-2-carbonylamino)propanoate?
The canonical SMILES for [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-(furan-2-carbonylamino)propanoate is C[C@@H](OC(=O)CCNC(=O)c1ccco1)c1nnc(-c2ccccc2)o1.
What is the InChIKey of [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-(furan-2-carbonylamino)propanoate?
The InChIKey is UALSGRQBPDVKKO-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H17N3O5/c1-12(17-20-21-18(26-17)13-6-3-2-4-7-13)25-15(22)9-10-19-16(23)14-8-5-11-24-14/h2-8,11-12H,9-10H2,1H3,(H,19,23)/t12-/m1/s1.
What are the key properties of [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-(furan-2-carbonylamino)propanoate?
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-(furan-2-carbonylamino)propanoate has a molecular weight of 355.35 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-(furan-2-carbonylamino)propanoate is sourced from PubChem (CID 33301156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).