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

C15H22N4O3 — CID 97217430

IUPAC(3R)-3-[(3S)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]oxolan-2-one
SMILESCN(Cc1noc(C2CC2)n1)[C@H]1CCN([C@@H]2CCOC2=O)C1
InChIInChI=1S/C15H22N4O3/c1-18(9-13-16-14(22-17-13)10-2-3-10)11-4-6-19(8-11)12-5-7-21-15(12)20/h10-12H,2-9H2,1H3/t11-,12+/m0/s1
InChIKeyRWRYHVFMNGPZLZ-NWDGAFQWSA-N
MW306.37 g/mol
LogP0.77
Rot. Bonds5

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

(3R)-3-[(3S)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]oxolan-2-one (PubChem CID 97217430) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is (3R)-3-[(3S)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]oxolan-2-one.

Molecular Properties

Compound Name(3R)-3-[(3S)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]oxolan-2-one
PubChem CID97217430
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name(3R)-3-[(3S)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]oxolan-2-one
SMILESCN(Cc1noc(C2CC2)n1)[C@H]1CCN([C@@H]2CCOC2=O)C1
InChIInChI=1S/C15H22N4O3/c1-18(9-13-16-14(22-17-13)10-2-3-10)11-4-6-19(8-11)12-5-7-21-15(12)20/h10-12H,2-9H2,1H3/t11-,12+/m0/s1
InChIKeyRWRYHVFMNGPZLZ-NWDGAFQWSA-N
XLogP0.77
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3R,5R)-3-[(3S)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-5-methyloxolan-2-one
CID 97217411
(3R)-3-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-1-methylpyrrolidin-2-one
CID 98847852
(3S)-3-[(3S)-3-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]oxolan-2-one
CID 129490671
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
N-[2-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]methanesulfonamide
CID 95780172
(3R)-3-[[(3R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-methylamino]oxolan-2-one
CID 95606596
(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
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
(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]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61495330

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3S)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]oxolan-2-one?
The IUPAC name of (3R)-3-[(3S)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]oxolan-2-one (CID 97217430) is (3R)-3-[(3S)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]oxolan-2-one.
What is the SMILES notation for (3R)-3-[(3S)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]oxolan-2-one?
The canonical SMILES for (3R)-3-[(3S)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]oxolan-2-one is CN(Cc1noc(C2CC2)n1)[C@H]1CCN([C@@H]2CCOC2=O)C1.
What is the InChIKey of (3R)-3-[(3S)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]oxolan-2-one?
The InChIKey is RWRYHVFMNGPZLZ-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-18(9-13-16-14(22-17-13)10-2-3-10)11-4-6-19(8-11)12-5-7-21-15(12)20/h10-12H,2-9H2,1H3/t11-,12+/m0/s1.
What are the key properties of (3R)-3-[(3S)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]oxolan-2-one?
(3R)-3-[(3S)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]oxolan-2-one has a molecular weight of 306.37 g/mol, XLogP of 0.77, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3S)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]oxolan-2-one is sourced from PubChem (CID 97217430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).