(2R)-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxypropan-1-one

C17H20N4O3 — CID 97063014

IUPAC(2R)-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxypropan-1-one
SMILESC[C@@H](Oc1cccnc1)C(=O)N1CCC[C@@H]1c1noc(C2CC2)n1
InChIInChI=1S/C17H20N4O3/c1-11(23-13-4-2-8-18-10-13)17(22)21-9-3-5-14(21)15-19-16(24-20-15)12-6-7-12/h2,4,8,10-12,14H,3,5-7,9H2,1H3/t11-,14-/m1/s1
InChIKeyMDRQYDPSDGAFSY-BXUZGUMPSA-N
MW328.37 g/mol
LogP2.47
Rot. Bonds5

About (2R)-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxypropan-1-one

(2R)-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxypropan-1-one (PubChem CID 97063014) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is (2R)-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxypropan-1-one.

Molecular Properties

Compound Name(2R)-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxypropan-1-one
PubChem CID97063014
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name(2R)-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxypropan-1-one
SMILESC[C@@H](Oc1cccnc1)C(=O)N1CCC[C@@H]1c1noc(C2CC2)n1
InChIInChI=1S/C17H20N4O3/c1-11(23-13-4-2-8-18-10-13)17(22)21-9-3-5-14(21)15-19-16(24-20-15)12-6-7-12/h2,4,8,10-12,14H,3,5-7,9H2,1H3/t11-,14-/m1/s1
InChIKeyMDRQYDPSDGAFSY-BXUZGUMPSA-N
XLogP2.47
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 71928959
(2S)-1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2-methoxyethoxy)propan-1-one
CID 96999344
[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone
CID 129490413
N-[(2S)-1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 95779648
(2R)-2-butoxy-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one
CID 97027622
(2S)-1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]propan-1-one
CID 96999340
(2S)-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one
CID 100858205
(2S)-1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one
CID 97021448
(2S)-1-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-pyridin-3-yloxypropan-1-one
CID 124566559
(2R)-2-(3-methoxyphenoxy)-1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 28980455
[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(1S)-2,3-dihydro-1H-inden-1-yl]methanone
CID 97017050
(2S)-1-[(2R)-2-methylpiperazin-1-yl]-2-pyridin-3-yloxypropan-1-one
CID 124570770

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxypropan-1-one?
The IUPAC name of (2R)-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxypropan-1-one (CID 97063014) is (2R)-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxypropan-1-one.
What is the SMILES notation for (2R)-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxypropan-1-one?
The canonical SMILES for (2R)-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxypropan-1-one is C[C@@H](Oc1cccnc1)C(=O)N1CCC[C@@H]1c1noc(C2CC2)n1.
What is the InChIKey of (2R)-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxypropan-1-one?
The InChIKey is MDRQYDPSDGAFSY-BXUZGUMPSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-11(23-13-4-2-8-18-10-13)17(22)21-9-3-5-14(21)15-19-16(24-20-15)12-6-7-12/h2,4,8,10-12,14H,3,5-7,9H2,1H3/t11-,14-/m1/s1.
What are the key properties of (2R)-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxypropan-1-one?
(2R)-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxypropan-1-one has a molecular weight of 328.37 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxypropan-1-one is sourced from PubChem (CID 97063014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).