(4R)-4-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-1-phenylpyrrolidin-2-one

C15H17N3O3 — CID 100691836

IUPAC(4R)-4-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-1-phenylpyrrolidin-2-one
SMILESCCOCc1nc([C@@H]2CC(=O)N(c3ccccc3)C2)no1
InChIInChI=1S/C15H17N3O3/c1-2-20-10-13-16-15(17-21-13)11-8-14(19)18(9-11)12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3/t11-/m1/s1
InChIKeyJHVLKQDZRFOMQT-LLVKDONJSA-N
MW287.32 g/mol
LogP2.13
Rot. Bonds5

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

(4R)-4-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-1-phenylpyrrolidin-2-one (PubChem CID 100691836) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is (4R)-4-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-1-phenylpyrrolidin-2-one
PubChem CID100691836
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name(4R)-4-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-1-phenylpyrrolidin-2-one
SMILESCCOCc1nc([C@@H]2CC(=O)N(c3ccccc3)C2)no1
InChIInChI=1S/C15H17N3O3/c1-2-20-10-13-16-15(17-21-13)11-8-14(19)18(9-11)12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3/t11-/m1/s1
InChIKeyJHVLKQDZRFOMQT-LLVKDONJSA-N
XLogP2.13
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-1-phenyl-4-[5-(propoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 125137903
(4S)-4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-phenylpyrrolidin-2-one
CID 94199937
1-phenyl-4-[5-(1-phenylpropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 53183294
4-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 91906730
(4R)-4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 99742247
(4R)-1-(3-chloro-4-fluorophenyl)-4-[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 99744796
1-(4-methoxyphenyl)-4-[5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 91906756
1-[4-[(3-fluorophenyl)methoxy]phenyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
CID 67011889
4-(5-isoquinolin-1-yl-1,2,4-oxadiazol-3-yl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 91906748
(4R)-1-(4-methoxyphenyl)-4-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
CID 95105709
(4R)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
CID 41014813
4-[5-(2-ethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 91916842

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-1-phenylpyrrolidin-2-one?
The IUPAC name of (4R)-4-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-1-phenylpyrrolidin-2-one (CID 100691836) is (4R)-4-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-1-phenylpyrrolidin-2-one is CCOCc1nc([C@@H]2CC(=O)N(c3ccccc3)C2)no1.
What is the InChIKey of (4R)-4-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-1-phenylpyrrolidin-2-one?
The InChIKey is JHVLKQDZRFOMQT-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-2-20-10-13-16-15(17-21-13)11-8-14(19)18(9-11)12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3/t11-/m1/s1.
What are the key properties of (4R)-4-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-1-phenylpyrrolidin-2-one?
(4R)-4-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-1-phenylpyrrolidin-2-one has a molecular weight of 287.32 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 100691836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).