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

C14H17N5O3 — CID 127869141

IUPAC1-(2-methoxyethyl)-4-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
SMILESCOCCN1CC(c2nc(-c3ncc(C)cn3)no2)CC1=O
InChIInChI=1S/C14H17N5O3/c1-9-6-15-12(16-7-9)13-17-14(22-18-13)10-5-11(20)19(8-10)3-4-21-2/h6-7,10H,3-5,8H2,1-2H3
InChIKeyUJZSCVNWDFJAMT-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.80
Rot. Bonds5

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

1-(2-methoxyethyl)-4-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (PubChem CID 127869141) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
PubChem CID127869141
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name1-(2-methoxyethyl)-4-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
SMILESCOCCN1CC(c2nc(-c3ncc(C)cn3)no2)CC1=O
InChIInChI=1S/C14H17N5O3/c1-9-6-15-12(16-7-9)13-17-14(22-18-13)10-5-11(20)19(8-10)3-4-21-2/h6-7,10H,3-5,8H2,1-2H3
InChIKeyUJZSCVNWDFJAMT-UHFFFAOYSA-N
XLogP0.80
TPSA94.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 99130341
4-[3-[2-(dimethylamino)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 167780543
4-[3-(cyclopentylmethyl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 154759331
5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)piperidin-2-one
CID 72922799
(4R)-4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 97434734
1-(2-methoxyethyl)-5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 72882973
(4S)-1-(furan-2-ylmethyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 51896258
(4R)-4-[3-(2-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one
CID 125137770
1-(2-methoxyethyl)-4-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 56798394
(5R)-1-(2-methoxyethyl)-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97157056
4-[(3,5-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91828980
(4S)-1-(2-methoxyethyl)-4-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-one
CID 124757294

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-4-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (CID 127869141) is 1-(2-methoxyethyl)-4-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-4-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-4-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is COCCN1CC(c2nc(-c3ncc(C)cn3)no2)CC1=O.
What is the InChIKey of 1-(2-methoxyethyl)-4-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The InChIKey is UJZSCVNWDFJAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-9-6-15-12(16-7-9)13-17-14(22-18-13)10-5-11(20)19(8-10)3-4-21-2/h6-7,10H,3-5,8H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-4-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
1-(2-methoxyethyl)-4-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one has a molecular weight of 303.32 g/mol, XLogP of 0.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 127869141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).