[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate

C21H19N3O4 — CID 9477230

IUPAC[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
SMILESC[C@H](OC(=O)c1cccc(N2CCCC2=O)c1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C21H19N3O4/c1-14(20-22-19(23-28-20)15-7-3-2-4-8-15)27-21(26)16-9-5-10-17(13-16)24-12-6-11-18(24)25/h2-5,7-10,13-14H,6,11-12H2,1H3/t14-/m0/s1
InChIKeyTXZOYNVIQVTXKU-AWEZNQCLSA-N
MW377.40 g/mol
LogP3.78
Rot. Bonds5

About [(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate

[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate (PubChem CID 9477230) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is [(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
PubChem CID9477230
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
SMILESC[C@H](OC(=O)c1cccc(N2CCCC2=O)c1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C21H19N3O4/c1-14(20-22-19(23-28-20)15-7-3-2-4-8-15)27-21(26)16-9-5-10-17(13-16)24-12-6-11-18(24)25/h2-5,7-10,13-14H,6,11-12H2,1H3/t14-/m0/s1
InChIKeyTXZOYNVIQVTXKU-AWEZNQCLSA-N
XLogP3.78
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate with MolForge

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Related Compounds

(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8728498
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 55449940
[(1S)-1-cyanoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8728071
[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] thiophene-3-carboxylate
CID 9380865
[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 46627474
[1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 46609915
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl 3-pyrrolidin-1-ylsulfonylbenzoate
CID 55483683
methyl 3-(2-oxopiperidin-1-yl)benzoate
CID 10681135
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 55403762
[1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 43015711
[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] 4-(1,3-dithiolan-2-yl)benzoate
CID 9478487

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate?
The IUPAC name of [(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate (CID 9477230) is [(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for [(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate?
The canonical SMILES for [(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate is C[C@H](OC(=O)c1cccc(N2CCCC2=O)c1)c1nc(-c2ccccc2)no1.
What is the InChIKey of [(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate?
The InChIKey is TXZOYNVIQVTXKU-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-14(20-22-19(23-28-20)15-7-3-2-4-8-15)27-21(26)16-9-5-10-17(13-16)24-12-6-11-18(24)25/h2-5,7-10,13-14H,6,11-12H2,1H3/t14-/m0/s1.
What are the key properties of [(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate?
[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate has a molecular weight of 377.40 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 9477230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).