(4R)-1-[2-(dimethylamino)ethyl]-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one

C15H25N5O3 — CID 97455337

IUPAC(4R)-1-[2-(dimethylamino)ethyl]-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
SMILESCN(C)CCN1C[C@H](c2nc(CN3CCOCC3)no2)CC1=O
InChIInChI=1S/C15H25N5O3/c1-18(2)3-4-20-10-12(9-14(20)21)15-16-13(17-23-15)11-19-5-7-22-8-6-19/h12H,3-11H2,1-2H3/t12-/m1/s1
InChIKeyFQWKGCKMYRRLCO-GFCCVEGCSA-N
MW323.40 g/mol
LogP-0.22
Rot. Bonds6

About (4R)-1-[2-(dimethylamino)ethyl]-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one

(4R)-1-[2-(dimethylamino)ethyl]-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (PubChem CID 97455337) has the molecular formula C15H25N5O3 and a molecular weight of 323.40 g/mol. Its IUPAC name is (4R)-1-[2-(dimethylamino)ethyl]-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-[2-(dimethylamino)ethyl]-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
PubChem CID97455337
Molecular FormulaC15H25N5O3
Molecular Weight323.40 g/mol
Exact Mass323.20
IUPAC Name(4R)-1-[2-(dimethylamino)ethyl]-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
SMILESCN(C)CCN1C[C@H](c2nc(CN3CCOCC3)no2)CC1=O
InChIInChI=1S/C15H25N5O3/c1-18(2)3-4-20-10-12(9-14(20)21)15-16-13(17-23-15)11-19-5-7-22-8-6-19/h12H,3-11H2,1-2H3/t12-/m1/s1
InChIKeyFQWKGCKMYRRLCO-GFCCVEGCSA-N
XLogP-0.22
TPSA74.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4R)-1-[2-(dimethylamino)ethyl]-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[2-(dimethylamino)ethyl]-4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 72876155
(4S)-1-[2-(dimethylamino)ethyl]-4-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 97455017
(4S)-1-tert-butyl-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 97454421
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one;hydrochloride
CID 120855663
(5S)-1-(cyclohexylmethyl)-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97154324
(5S)-1-cyclopropyl-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97143936
1-[(3-methoxyphenyl)methyl]-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 72889204
4-[3-(cyclopentylmethyl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 154759331
1-(cyclohexylmethyl)-5-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 72941264
1,1,3-trimethyl-3-[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]urea
CID 166601372
5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(3-morpholin-4-ylpropyl)piperidin-2-one
CID 72872779
4-[3-(cyclopentylmethyl)-1,2,4-oxadiazol-5-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 154759332

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[2-(dimethylamino)ethyl]-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-[2-(dimethylamino)ethyl]-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (CID 97455337) is (4R)-1-[2-(dimethylamino)ethyl]-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-[2-(dimethylamino)ethyl]-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-[2-(dimethylamino)ethyl]-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is CN(C)CCN1C[C@H](c2nc(CN3CCOCC3)no2)CC1=O.
What is the InChIKey of (4R)-1-[2-(dimethylamino)ethyl]-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The InChIKey is FQWKGCKMYRRLCO-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H25N5O3/c1-18(2)3-4-20-10-12(9-14(20)21)15-16-13(17-23-15)11-19-5-7-22-8-6-19/h12H,3-11H2,1-2H3/t12-/m1/s1.
What are the key properties of (4R)-1-[2-(dimethylamino)ethyl]-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
(4R)-1-[2-(dimethylamino)ethyl]-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one has a molecular weight of 323.40 g/mol, XLogP of -0.22, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[2-(dimethylamino)ethyl]-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 97455337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).