1-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one

C14H15N3O2 — CID 71823766

IUPAC1-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one
SMILESCc1cccc(-c2nc(CN3CCCC3=O)no2)c1
InChIInChI=1S/C14H15N3O2/c1-10-4-2-5-11(8-10)14-15-12(16-19-14)9-17-7-3-6-13(17)18/h2,4-5,8H,3,6-7,9H2,1H3
InChIKeyNUEPVPSUNLWZPO-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.17
Rot. Bonds3

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

1-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one (PubChem CID 71823766) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one
PubChem CID71823766
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name1-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one
SMILESCc1cccc(-c2nc(CN3CCCC3=O)no2)c1
InChIInChI=1S/C14H15N3O2/c1-10-4-2-5-11(8-10)14-15-12(16-19-14)9-17-7-3-6-13(17)18/h2,4-5,8H,3,6-7,9H2,1H3
InChIKeyNUEPVPSUNLWZPO-UHFFFAOYSA-N
XLogP2.17
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one
CID 75539105
3-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-phenylimidazolidine-2,4-dione
CID 47048861
(3S,4R)-1-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-3,4-diol
CID 79420529
3-(4,4-dimethylpentyl)-5-(3-methylphenyl)-1,2,4-oxadiazole
CID 59395695
methyl 4-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carboxylate
CID 10087118
3-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 42960204
1-[[3-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]phenyl]methyl]pyrrolidin-2-one
CID 133481959
[(3R)-2-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 51952788
1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one
CID 71823742
N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]aniline
CID 1133730
3-methyl-N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]butan-2-amine
CID 42691823
N-methyl-3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115079264

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one (CID 71823766) is 1-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one is Cc1cccc(-c2nc(CN3CCCC3=O)no2)c1.
What is the InChIKey of 1-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one?
The InChIKey is NUEPVPSUNLWZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10-4-2-5-11(8-10)14-15-12(16-19-14)9-17-7-3-6-13(17)18/h2,4-5,8H,3,6-7,9H2,1H3.
What are the key properties of 1-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one?
1-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one has a molecular weight of 257.29 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 71823766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).