(4S)-4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-phenylpyrrolidin-2-one

C20H19N3O3 — CID 94199937

IUPAC(4S)-4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-phenylpyrrolidin-2-one
SMILESCCOc1ccccc1-c1nc([C@H]2CC(=O)N(c3ccccc3)C2)no1
InChIInChI=1S/C20H19N3O3/c1-2-25-17-11-7-6-10-16(17)20-21-19(22-26-20)14-12-18(24)23(13-14)15-8-4-3-5-9-15/h3-11,14H,2,12-13H2,1H3/t14-/m0/s1
InChIKeyRLRXELKCOKGELV-AWEZNQCLSA-N
MW349.39 g/mol
LogP3.66
Rot. Bonds5

About (4S)-4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-phenylpyrrolidin-2-one

(4S)-4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-phenylpyrrolidin-2-one (PubChem CID 94199937) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is (4S)-4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-phenylpyrrolidin-2-one
PubChem CID94199937
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name(4S)-4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-phenylpyrrolidin-2-one
SMILESCCOc1ccccc1-c1nc([C@H]2CC(=O)N(c3ccccc3)C2)no1
InChIInChI=1S/C20H19N3O3/c1-2-25-17-11-7-6-10-16(17)20-21-19(22-26-20)14-12-18(24)23(13-14)15-8-4-3-5-9-15/h3-11,14H,2,12-13H2,1H3/t14-/m0/s1
InChIKeyRLRXELKCOKGELV-AWEZNQCLSA-N
XLogP3.66
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-4-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-1-phenylpyrrolidin-2-one
CID 100691836
1-(4-methoxyphenyl)-4-[5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 91906756
(4R)-4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 99742247
(4S)-4-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-(3,4-dimethoxyphenyl)pyrrolidin-2-one
CID 99742013
(4S)-1-phenyl-4-[5-(propoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 125137903
1-phenyl-4-[5-(1-phenylpropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 53183294
(4S)-4-[5-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 99742091
(4S)-4-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 99742002
4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 91906768
(4S)-4-[5-(2,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-ethylphenyl)pyrrolidin-2-one
CID 99742157
4-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 91906748
(4R)-1-(4-chlorophenyl)-4-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 99741927

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-phenylpyrrolidin-2-one?
The IUPAC name of (4S)-4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-phenylpyrrolidin-2-one (CID 94199937) is (4S)-4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-phenylpyrrolidin-2-one is CCOc1ccccc1-c1nc([C@H]2CC(=O)N(c3ccccc3)C2)no1.
What is the InChIKey of (4S)-4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-phenylpyrrolidin-2-one?
The InChIKey is RLRXELKCOKGELV-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-2-25-17-11-7-6-10-16(17)20-21-19(22-26-20)14-12-18(24)23(13-14)15-8-4-3-5-9-15/h3-11,14H,2,12-13H2,1H3/t14-/m0/s1.
What are the key properties of (4S)-4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-phenylpyrrolidin-2-one?
(4S)-4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-phenylpyrrolidin-2-one has a molecular weight of 349.39 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 94199937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).