(4S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one

C17H19N3O4 — CID 51896216

IUPAC(4S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
SMILESCC(C)c1noc([C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)n1
InChIInChI=1S/C17H19N3O4/c1-10(2)16-18-17(24-19-16)11-7-15(21)20(9-11)12-3-4-13-14(8-12)23-6-5-22-13/h3-4,8,10-11H,5-7,9H2,1-2H3/t11-/m0/s1
InChIKeyPEVYCIXPQAMLGL-NSHDSACASA-N
MW329.36 g/mol
LogP2.48
Rot. Bonds3

About (4S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one

(4S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one (PubChem CID 51896216) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is (4S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
PubChem CID51896216
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name(4S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
SMILESCC(C)c1noc([C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)n1
InChIInChI=1S/C17H19N3O4/c1-10(2)16-18-17(24-19-16)11-7-15(21)20(9-11)12-3-4-13-14(8-12)23-6-5-22-13/h3-4,8,10-11H,5-7,9H2,1-2H3/t11-/m0/s1
InChIKeyPEVYCIXPQAMLGL-NSHDSACASA-N
XLogP2.48
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4S)-1-(2,3-dihydro-1H-inden-5-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 51894132
(4S)-1-(1,3-benzodioxol-5-yl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 42586113
(4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
CID 97454970
4-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one
CID 168689188
(4R)-1-(4-chlorophenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 51896227
(4R)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(3-methylphenyl)pyrrolidin-2-one
CID 51894123
1-phenyl-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]pyrrolidin-2-one
CID 121098567
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50879370
4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
CID 16955902
4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(4-ethoxyphenyl)pyrrolidin-2-one
CID 16955991
methyl (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxylate
CID 94077453
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 18206709

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
The IUPAC name of (4S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one (CID 51896216) is (4S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one is CC(C)c1noc([C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)n1.
What is the InChIKey of (4S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
The InChIKey is PEVYCIXPQAMLGL-NSHDSACASA-N. The full InChI is InChI=1S/C17H19N3O4/c1-10(2)16-18-17(24-19-16)11-7-15(21)20(9-11)12-3-4-13-14(8-12)23-6-5-22-13/h3-4,8,10-11H,5-7,9H2,1-2H3/t11-/m0/s1.
What are the key properties of (4S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one?
(4S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one has a molecular weight of 329.36 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 51896216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).