(4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one

C15H16ClN3O3 — CID 99130341

IUPAC(4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1C[C@H](c2nc(-c3ccccc3Cl)no2)CC1=O
InChIInChI=1S/C15H16ClN3O3/c1-21-7-6-19-9-10(8-13(19)20)15-17-14(18-22-15)11-4-2-3-5-12(11)16/h2-5,10H,6-9H2,1H3/t10-/m1/s1
InChIKeyPWZQSFQIEKIMKX-SNVBAGLBSA-N
MW321.76 g/mol
LogP2.35
Rot. Bonds5

About (4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one

(4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one (PubChem CID 99130341) has the molecular formula C15H16ClN3O3 and a molecular weight of 321.76 g/mol. Its IUPAC name is (4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
PubChem CID99130341
Molecular FormulaC15H16ClN3O3
Molecular Weight321.76 g/mol
Exact Mass321.09
IUPAC Name(4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1C[C@H](c2nc(-c3ccccc3Cl)no2)CC1=O
InChIInChI=1S/C15H16ClN3O3/c1-21-7-6-19-9-10(8-13(19)20)15-17-14(18-22-15)11-4-2-3-5-12(11)16/h2-5,10H,6-9H2,1H3/t10-/m1/s1
InChIKeyPWZQSFQIEKIMKX-SNVBAGLBSA-N
XLogP2.35
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one (CID 99130341) is (4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one is COCCN1C[C@H](c2nc(-c3ccccc3Cl)no2)CC1=O.
What is the InChIKey of (4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The InChIKey is PWZQSFQIEKIMKX-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16ClN3O3/c1-21-7-6-19-9-10(8-13(19)20)15-17-14(18-22-15)11-4-2-3-5-12(11)16/h2-5,10H,6-9H2,1H3/t10-/m1/s1.
What are the key properties of (4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one?
(4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one has a molecular weight of 321.76 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 99130341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).