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

C16H15N3O6 — CID 7579776

IUPAC[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
SMILESO=C(Cn1nc(-c2ccccc2)oc1=O)OCC(=O)N1CCCC1=O
InChIInChI=1S/C16H15N3O6/c20-12-7-4-8-18(12)13(21)10-24-14(22)9-19-16(23)25-15(17-19)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2
InChIKeyFTFAYDLSZUIBCT-UHFFFAOYSA-N
MW345.31 g/mol
LogP0.20
Rot. Bonds5

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

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate (PubChem CID 7579776) has the molecular formula C16H15N3O6 and a molecular weight of 345.31 g/mol. Its IUPAC name is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
PubChem CID7579776
Molecular FormulaC16H15N3O6
Molecular Weight345.31 g/mol
Exact Mass345.10
IUPAC Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
SMILESO=C(Cn1nc(-c2ccccc2)oc1=O)OCC(=O)N1CCCC1=O
InChIInChI=1S/C16H15N3O6/c20-12-7-4-8-18(12)13(21)10-24-14(22)9-19-16(23)25-15(17-19)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2
InChIKeyFTFAYDLSZUIBCT-UHFFFAOYSA-N
XLogP0.20
TPSA111.71 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(azocan-1-yl)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 8632865
phenacyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7578667
[2-(dimethylamino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 8835595
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7578205
[2-(4-ethylanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7577738
[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7721650
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7580119
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 8835589
(4-carbamoylphenyl)methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 26968408
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7721677
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7578808
(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 46825838

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate?
The IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate (CID 7579776) is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate.
What is the SMILES notation for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate?
The canonical SMILES for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate is O=C(Cn1nc(-c2ccccc2)oc1=O)OCC(=O)N1CCCC1=O.
What is the InChIKey of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate?
The InChIKey is FTFAYDLSZUIBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O6/c20-12-7-4-8-18(12)13(21)10-24-14(22)9-19-16(23)25-15(17-19)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2.
What are the key properties of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate?
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate has a molecular weight of 345.31 g/mol, XLogP of 0.20, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate is sourced from PubChem (CID 7579776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).