[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate

C18H17N3O5S — CID 8835912

IUPAC[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
SMILESC[C@@H](NC(=O)COC(=O)Cn1nc(-c2ccccc2)oc1=O)c1cccs1
InChIInChI=1S/C18H17N3O5S/c1-12(14-8-5-9-27-14)19-15(22)11-25-16(23)10-21-18(24)26-17(20-21)13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,19,22)/t12-/m1/s1
InChIKeyYRKRBITZBODEEV-GFCCVEGCSA-N
MW387.42 g/mol
LogP1.99
Rot. Bonds7

About [2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate

[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate (PubChem CID 8835912) has the molecular formula C18H17N3O5S and a molecular weight of 387.42 g/mol. Its IUPAC name is [2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
PubChem CID8835912
Molecular FormulaC18H17N3O5S
Molecular Weight387.42 g/mol
Exact Mass387.09
IUPAC Name[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
SMILESC[C@@H](NC(=O)COC(=O)Cn1nc(-c2ccccc2)oc1=O)c1cccs1
InChIInChI=1S/C18H17N3O5S/c1-12(14-8-5-9-27-14)19-15(22)11-25-16(23)10-21-18(24)26-17(20-21)13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,19,22)/t12-/m1/s1
InChIKeyYRKRBITZBODEEV-GFCCVEGCSA-N
XLogP1.99
TPSA103.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7721677
[2-(dimethylamino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 8835595
phenacyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7578667
[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726592
[2-(4-ethylanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7577738
2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 40790864
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7578205
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 8835589
[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7721650
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7578808
[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoate
CID 46639992
[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 8971164

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate?
The IUPAC name of [2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate (CID 8835912) is [2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate.
What is the SMILES notation for [2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate?
The canonical SMILES for [2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate is C[C@@H](NC(=O)COC(=O)Cn1nc(-c2ccccc2)oc1=O)c1cccs1.
What is the InChIKey of [2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate?
The InChIKey is YRKRBITZBODEEV-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H17N3O5S/c1-12(14-8-5-9-27-14)19-15(22)11-25-16(23)10-21-18(24)26-17(20-21)13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,19,22)/t12-/m1/s1.
What are the key properties of [2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate?
[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate has a molecular weight of 387.42 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate is sourced from PubChem (CID 8835912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).