1-[(2S)-2-hydroxy-3-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]propyl]pyrrolidin-2-one

C16H27N5O3 — CID 96513859

IUPAC1-[(2S)-2-hydroxy-3-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]propyl]pyrrolidin-2-one
SMILESCc1nc(CN(C)[C@H]2CCN(C[C@H](O)CN3CCCC3=O)C2)no1
InChIInChI=1S/C16H27N5O3/c1-12-17-15(18-24-12)11-19(2)13-5-7-20(8-13)9-14(22)10-21-6-3-4-16(21)23/h13-14,22H,3-11H2,1-2H3/t13-,14-/m0/s1
InChIKeyUEMGUASDTLYXGP-KBPBESRZSA-N
MW337.42 g/mol
LogP-0.13
Rot. Bonds7

About 1-[(2S)-2-hydroxy-3-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]propyl]pyrrolidin-2-one

1-[(2S)-2-hydroxy-3-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]propyl]pyrrolidin-2-one (PubChem CID 96513859) has the molecular formula C16H27N5O3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxy-3-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-hydroxy-3-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]propyl]pyrrolidin-2-one
PubChem CID96513859
Molecular FormulaC16H27N5O3
Molecular Weight337.42 g/mol
Exact Mass337.21
IUPAC Name1-[(2S)-2-hydroxy-3-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]propyl]pyrrolidin-2-one
SMILESCc1nc(CN(C)[C@H]2CCN(C[C@H](O)CN3CCCC3=O)C2)no1
InChIInChI=1S/C16H27N5O3/c1-12-17-15(18-24-12)11-19(2)13-5-7-20(8-13)9-14(22)10-21-6-3-4-16(21)23/h13-14,22H,3-11H2,1-2H3/t13-,14-/m0/s1
InChIKeyUEMGUASDTLYXGP-KBPBESRZSA-N
XLogP-0.13
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(2S)-2-hydroxy-3-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]propyl]pyrrolidin-2-one with MolForge

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Related Compounds

(2R)-1-[(3R)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 100837588
(3R)-1-(2-cyclopentylethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
CID 96512086
(3S)-1-(2-cyclopentylethyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
CID 96512087
(1S)-1-(4-fluorophenyl)-2-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]ethanol
CID 100858302
(2S)-2-[[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]pentanedinitrile
CID 98775213
N-[1-(2-cyclopentylethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 154749222
(2S)-1-[(3S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 95780183
1-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 75373765
4-methyl-1-[[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]cyclohexan-1-ol
CID 96513865
1-[2-hydroxy-3-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propyl]pyrrolidin-2-one
CID 111116494
1-[2-hydroxy-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one
CID 111442533
1-(2-amino-2-methylpropyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine
CID 120857603

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxy-3-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[(2S)-2-hydroxy-3-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]propyl]pyrrolidin-2-one (CID 96513859) is 1-[(2S)-2-hydroxy-3-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2S)-2-hydroxy-3-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2S)-2-hydroxy-3-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]propyl]pyrrolidin-2-one is Cc1nc(CN(C)[C@H]2CCN(C[C@H](O)CN3CCCC3=O)C2)no1.
What is the InChIKey of 1-[(2S)-2-hydroxy-3-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]propyl]pyrrolidin-2-one?
The InChIKey is UEMGUASDTLYXGP-KBPBESRZSA-N. The full InChI is InChI=1S/C16H27N5O3/c1-12-17-15(18-24-12)11-19(2)13-5-7-20(8-13)9-14(22)10-21-6-3-4-16(21)23/h13-14,22H,3-11H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of 1-[(2S)-2-hydroxy-3-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]propyl]pyrrolidin-2-one?
1-[(2S)-2-hydroxy-3-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]propyl]pyrrolidin-2-one has a molecular weight of 337.42 g/mol, XLogP of -0.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-hydroxy-3-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]propyl]pyrrolidin-2-one is sourced from PubChem (CID 96513859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).