(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate

C20H17N3O4 — CID 8728498

IUPAC(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate
SMILESO=C(OCc1nc(-c2ccccc2)no1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C20H17N3O4/c24-18-10-5-11-23(18)16-9-4-8-15(12-16)20(25)26-13-17-21-19(22-27-17)14-6-2-1-3-7-14/h1-4,6-9,12H,5,10-11,13H2
InChIKeyAWOKKOLGFRHEQR-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.22
Rot. Bonds5

About (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate

(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate (PubChem CID 8728498) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate
PubChem CID8728498
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate
SMILESO=C(OCc1nc(-c2ccccc2)no1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C20H17N3O4/c24-18-10-5-11-23(18)16-9-4-8-15(12-16)20(25)26-13-17-21-19(22-27-17)14-6-2-1-3-7-14/h1-4,6-9,12H,5,10-11,13H2
InChIKeyAWOKKOLGFRHEQR-UHFFFAOYSA-N
XLogP3.22
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl 4-(2-oxopyrrolidin-1-yl)benzoate
CID 18138138
[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 9477230
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate
CID 18202987
[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 3-(2-oxopyrrolidin-1-yl)benzoate
CID 9124039
(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate
CID 9477215
(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate
CID 9477254
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylate
CID 126805827
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-nitro-4-piperidin-1-ylbenzoate
CID 7782035
[2-(4-methoxyphenyl)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8727594
(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8728080
[2-(3-fluorophenyl)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8678174

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate?
The IUPAC name of (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate (CID 8728498) is (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate?
The canonical SMILES for (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate is O=C(OCc1nc(-c2ccccc2)no1)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate?
The InChIKey is AWOKKOLGFRHEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c24-18-10-5-11-23(18)16-9-4-8-15(12-16)20(25)26-13-17-21-19(22-27-17)14-6-2-1-3-7-14/h1-4,6-9,12H,5,10-11,13H2.
What are the key properties of (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate?
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate has a molecular weight of 363.37 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(2-oxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 8728498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).