[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (3S)-3-phenylbutanoate

C20H19N3O4 — CID 7227751

IUPAC[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (3S)-3-phenylbutanoate
SMILESC[C@@H](CC(=O)OCC(=O)Nc1nnc(-c2ccccc2)o1)c1ccccc1
InChIInChI=1S/C20H19N3O4/c1-14(15-8-4-2-5-9-15)12-18(25)26-13-17(24)21-20-23-22-19(27-20)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,21,23,24)/t14-/m0/s1
InChIKeyBRIHEODAXBOTGE-AWEZNQCLSA-N
MW365.39 g/mol
LogP3.41
Rot. Bonds7

About [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (3S)-3-phenylbutanoate

[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (3S)-3-phenylbutanoate (PubChem CID 7227751) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (3S)-3-phenylbutanoate.

Molecular Properties

Compound Name[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (3S)-3-phenylbutanoate
PubChem CID7227751
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (3S)-3-phenylbutanoate
SMILESC[C@@H](CC(=O)OCC(=O)Nc1nnc(-c2ccccc2)o1)c1ccccc1
InChIInChI=1S/C20H19N3O4/c1-14(15-8-4-2-5-9-15)12-18(25)26-13-17(24)21-20-23-22-19(27-20)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,21,23,24)/t14-/m0/s1
InChIKeyBRIHEODAXBOTGE-AWEZNQCLSA-N
XLogP3.41
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (3S)-3-phenylbutanoate with MolForge

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Related Compounds

[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-methylpropanoate
CID 7782402
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 3,3-dimethylbutanoate
CID 7950761
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(4-methoxyphenoxy)acetate
CID 7846670
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (2S)-2-benzamidopropanoate
CID 7571891
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 7997548
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 7839369
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726729
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(2-fluorophenoxy)acetate
CID 9140177
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 3-phenylbutanoate
CID 16592228
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-chlorobenzoate
CID 7797205
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 3-phenylprop-2-enoate
CID 71953493
[2-(4-acetamidoanilino)-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7228166

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (3S)-3-phenylbutanoate?
The IUPAC name of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (3S)-3-phenylbutanoate (CID 7227751) is [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (3S)-3-phenylbutanoate.
What is the SMILES notation for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (3S)-3-phenylbutanoate?
The canonical SMILES for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (3S)-3-phenylbutanoate is C[C@@H](CC(=O)OCC(=O)Nc1nnc(-c2ccccc2)o1)c1ccccc1.
What is the InChIKey of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (3S)-3-phenylbutanoate?
The InChIKey is BRIHEODAXBOTGE-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-14(15-8-4-2-5-9-15)12-18(25)26-13-17(24)21-20-23-22-19(27-20)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,21,23,24)/t14-/m0/s1.
What are the key properties of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (3S)-3-phenylbutanoate?
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (3S)-3-phenylbutanoate has a molecular weight of 365.39 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (3S)-3-phenylbutanoate is sourced from PubChem (CID 7227751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).