methyl 1-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-oxopyrrolidine-3-carboxylate

C15H15N3O4 — CID 168695526

IUPACmethyl 1-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2nnc(Cc3ccccc3)o2)C1
InChIInChI=1S/C15H15N3O4/c1-21-14(20)11-8-13(19)18(9-11)15-17-16-12(22-15)7-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChIKeyCYKUFEIFSDZKQJ-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.19
Rot. Bonds4

About methyl 1-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-oxopyrrolidine-3-carboxylate

methyl 1-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 168695526) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is methyl 1-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-oxopyrrolidine-3-carboxylate
PubChem CID168695526
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Namemethyl 1-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2nnc(Cc3ccccc3)o2)C1
InChIInChI=1S/C15H15N3O4/c1-21-14(20)11-8-13(19)18(9-11)15-17-16-12(22-15)7-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChIKeyCYKUFEIFSDZKQJ-UHFFFAOYSA-N
XLogP1.19
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-oxo-1-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-3-carboxylate
CID 50879682
methyl (3S)-1-[4-[(4R)-4-methoxycarbonyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 94076246
methyl (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075738
methyl 1-(2-iodophenyl)-5-oxopyrrolidine-3-carboxylate
CID 168694888
methyl 5-oxo-1-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylate
CID 50879609
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7544042
(4-benzylphenyl) (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057134
methyl 5-oxo-1-pyridin-4-ylpyrrolidine-3-carboxylate
CID 168695333
methyl (3S)-5-oxo-1-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxylate
CID 94077585
methyl 1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 50878785
benzyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7545638
methyl 1-[4-(2-methoxy-2-oxoethyl)phenyl]-5-oxopyrrolidine-3-carboxylate
CID 168693290

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-oxopyrrolidine-3-carboxylate (CID 168695526) is methyl 1-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-oxopyrrolidine-3-carboxylate is COC(=O)C1CC(=O)N(c2nnc(Cc3ccccc3)o2)C1.
What is the InChIKey of methyl 1-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is CYKUFEIFSDZKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-21-14(20)11-8-13(19)18(9-11)15-17-16-12(22-15)7-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3.
What are the key properties of methyl 1-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-oxopyrrolidine-3-carboxylate?
methyl 1-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 301.30 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 168695526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).