(4R,5S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one

C18H28N6O2 — CID 129005622

IUPAC(4R,5S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
SMILESCCCCc1nc(CN[C@@H]2CC(=O)N(C)[C@H]2c2c(C)nn(C)c2C)no1
InChIInChI=1S/C18H28N6O2/c1-6-7-8-15-20-14(22-26-15)10-19-13-9-16(25)23(4)18(13)17-11(2)21-24(5)12(17)3/h13,18-19H,6-10H2,1-5H3/t13-,18-/m1/s1
InChIKeyISTNCAYFKYDGNS-FZKQIMNGSA-N
MW360.46 g/mol
LogP1.82
Rot. Bonds7

About (4R,5S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one

(4R,5S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one (PubChem CID 129005622) has the molecular formula C18H28N6O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is (4R,5S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
PubChem CID129005622
Molecular FormulaC18H28N6O2
Molecular Weight360.46 g/mol
Exact Mass360.23
IUPAC Name(4R,5S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
SMILESCCCCc1nc(CN[C@@H]2CC(=O)N(C)[C@H]2c2c(C)nn(C)c2C)no1
InChIInChI=1S/C18H28N6O2/c1-6-7-8-15-20-14(22-26-15)10-19-13-9-16(25)23(4)18(13)17-11(2)21-24(5)12(17)3/h13,18-19H,6-10H2,1-5H3/t13-,18-/m1/s1
InChIKeyISTNCAYFKYDGNS-FZKQIMNGSA-N
XLogP1.82
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4R,5S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

N-[2-[[(2S,3R)-1-methyl-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-3-yl]amino]ethyl]ethanesulfonamide
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(4R,5S)-4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
CID 128998217
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(4R,5S)-1-methyl-4-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
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CID 129004495

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one?
The IUPAC name of (4R,5S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one (CID 129005622) is (4R,5S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for (4R,5S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for (4R,5S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one is CCCCc1nc(CN[C@@H]2CC(=O)N(C)[C@H]2c2c(C)nn(C)c2C)no1.
What is the InChIKey of (4R,5S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one?
The InChIKey is ISTNCAYFKYDGNS-FZKQIMNGSA-N. The full InChI is InChI=1S/C18H28N6O2/c1-6-7-8-15-20-14(22-26-15)10-19-13-9-16(25)23(4)18(13)17-11(2)21-24(5)12(17)3/h13,18-19H,6-10H2,1-5H3/t13-,18-/m1/s1.
What are the key properties of (4R,5S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one?
(4R,5S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one has a molecular weight of 360.46 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-[(5-butyl-1,2,4-oxadiazol-3-yl)methylamino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 129005622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).