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

C16H24N4O3 — CID 97217411

IUPAC(3R,5R)-3-[(3S)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-5-methyloxolan-2-one
SMILESC[C@@H]1C[C@@H](N2CC[C@H](N(C)Cc3noc(C4CC4)n3)C2)C(=O)O1
InChIInChI=1S/C16H24N4O3/c1-10-7-13(16(21)22-10)20-6-5-12(8-20)19(2)9-14-17-15(23-18-14)11-3-4-11/h10-13H,3-9H2,1-2H3/t10-,12+,13-/m1/s1
InChIKeyZYDUPLOIUKXYNH-KGYLQXTDSA-N
MW320.39 g/mol
LogP1.16
Rot. Bonds5

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

(3R,5R)-3-[(3S)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-5-methyloxolan-2-one (PubChem CID 97217411) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is (3R,5R)-3-[(3S)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-5-methyloxolan-2-one.

Molecular Properties

Compound Name(3R,5R)-3-[(3S)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-5-methyloxolan-2-one
PubChem CID97217411
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name(3R,5R)-3-[(3S)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-5-methyloxolan-2-one
SMILESC[C@@H]1C[C@@H](N2CC[C@H](N(C)Cc3noc(C4CC4)n3)C2)C(=O)O1
InChIInChI=1S/C16H24N4O3/c1-10-7-13(16(21)22-10)20-6-5-12(8-20)19(2)9-14-17-15(23-18-14)11-3-4-11/h10-13H,3-9H2,1-2H3/t10-,12+,13-/m1/s1
InChIKeyZYDUPLOIUKXYNH-KGYLQXTDSA-N
XLogP1.16
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3R)-1-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]pyrrolidin-3-yl]acetamide
CID 100858433
(3R)-3-[(3S)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]oxolan-2-one
CID 97217430
(3R)-3-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-1-methylpyrrolidin-2-one
CID 98847852
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(5-methyl-2-oxooxolan-3-yl)pyrrolidin-3-yl]acetamide
CID 71872474
N-[2-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]methanesulfonamide
CID 95780172
N-cyclopropyl-2-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]propanamide
CID 71928488
(2S)-N-cyclopropyl-2-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]propanamide
CID 100870289
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61495330
(3S)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-phenylethyl)pyrrolidin-3-amine
CID 97318188
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
CID 75373783
(3S)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine
CID 97217433
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpyrrolidin-3-amine
CID 75373786

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-[(3S)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-5-methyloxolan-2-one?
The IUPAC name of (3R,5R)-3-[(3S)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-5-methyloxolan-2-one (CID 97217411) is (3R,5R)-3-[(3S)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-5-methyloxolan-2-one.
What is the SMILES notation for (3R,5R)-3-[(3S)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-5-methyloxolan-2-one?
The canonical SMILES for (3R,5R)-3-[(3S)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-5-methyloxolan-2-one is C[C@@H]1C[C@@H](N2CC[C@H](N(C)Cc3noc(C4CC4)n3)C2)C(=O)O1.
What is the InChIKey of (3R,5R)-3-[(3S)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-5-methyloxolan-2-one?
The InChIKey is ZYDUPLOIUKXYNH-KGYLQXTDSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-10-7-13(16(21)22-10)20-6-5-12(8-20)19(2)9-14-17-15(23-18-14)11-3-4-11/h10-13H,3-9H2,1-2H3/t10-,12+,13-/m1/s1.
What are the key properties of (3R,5R)-3-[(3S)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-5-methyloxolan-2-one?
(3R,5R)-3-[(3S)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-5-methyloxolan-2-one has a molecular weight of 320.39 g/mol, XLogP of 1.16, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-[(3S)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-5-methyloxolan-2-one is sourced from PubChem (CID 97217411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).