1-(2,5-dimethylpyrazol-3-yl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]pyrrolidin-2-one

C18H20N6O3 — CID 133325636

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]pyrrolidin-2-one
SMILESCOc1cccc(-c2noc(NC3CCN(c4cc(C)nn4C)C3=O)n2)c1
InChIInChI=1S/C18H20N6O3/c1-11-9-15(23(2)21-11)24-8-7-14(17(24)25)19-18-20-16(22-27-18)12-5-4-6-13(10-12)26-3/h4-6,9-10,14H,7-8H2,1-3H3,(H,19,20,22)
InChIKeyZKFYZGSOCYTGPW-UHFFFAOYSA-N
MW368.40 g/mol
LogP2.00
Rot. Bonds5

About 1-(2,5-dimethylpyrazol-3-yl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]pyrrolidin-2-one

1-(2,5-dimethylpyrazol-3-yl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]pyrrolidin-2-one (PubChem CID 133325636) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]pyrrolidin-2-one
PubChem CID133325636
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]pyrrolidin-2-one
SMILESCOc1cccc(-c2noc(NC3CCN(c4cc(C)nn4C)C3=O)n2)c1
InChIInChI=1S/C18H20N6O3/c1-11-9-15(23(2)21-11)24-8-7-14(17(24)25)19-18-20-16(22-27-18)12-5-4-6-13(10-12)26-3/h4-6,9-10,14H,7-8H2,1-3H3,(H,19,20,22)
InChIKeyZKFYZGSOCYTGPW-UHFFFAOYSA-N
XLogP2.00
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-cycloheptyl-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342228
3-(3-methoxyphenyl)-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-1,2,4-oxadiazol-5-amine
CID 133319922
5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 19658006
N-(2-ethylsulfanylcyclopentyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 133378477
N-(3-ethylsulfinylcyclohexyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 133338190
N-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 71686712
3-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
CID 133402560
3-(3-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]-1,2,4-oxadiazol-5-amine
CID 133319455
(3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[(4-methoxyphenyl)methyl-methylamino]pyrrolidin-2-one
CID 97318950
(2S)-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]propanoic acid
CID 167843922
3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 20952768
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 126805972

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]pyrrolidin-2-one?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]pyrrolidin-2-one (CID 133325636) is 1-(2,5-dimethylpyrazol-3-yl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]pyrrolidin-2-one?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]pyrrolidin-2-one is COc1cccc(-c2noc(NC3CCN(c4cc(C)nn4C)C3=O)n2)c1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]pyrrolidin-2-one?
The InChIKey is ZKFYZGSOCYTGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-11-9-15(23(2)21-11)24-8-7-14(17(24)25)19-18-20-16(22-27-18)12-5-4-6-13(10-12)26-3/h4-6,9-10,14H,7-8H2,1-3H3,(H,19,20,22).
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]pyrrolidin-2-one?
1-(2,5-dimethylpyrazol-3-yl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]pyrrolidin-2-one has a molecular weight of 368.40 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 133325636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).