(2S)-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one

C18H27N3O4 — CID 100858205

IUPAC(2S)-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one
SMILESC[C@H](OC[C@H]1CCCCO1)C(=O)N1CCC[C@@H]1c1noc(C2CC2)n1
InChIInChI=1S/C18H27N3O4/c1-12(24-11-14-5-2-3-10-23-14)18(22)21-9-4-6-15(21)16-19-17(25-20-16)13-7-8-13/h12-15H,2-11H2,1H3/t12-,14+,15+/m0/s1
InChIKeyIDQBCULUVHLDSI-NWANDNLSSA-N
MW349.43 g/mol
LogP2.58
Rot. Bonds6

About (2S)-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one

(2S)-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one (PubChem CID 100858205) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one.

Molecular Properties

Compound Name(2S)-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one
PubChem CID100858205
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name(2S)-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one
SMILESC[C@H](OC[C@H]1CCCCO1)C(=O)N1CCC[C@@H]1c1noc(C2CC2)n1
InChIInChI=1S/C18H27N3O4/c1-12(24-11-14-5-2-3-10-23-14)18(22)21-9-4-6-15(21)16-19-17(25-20-16)13-7-8-13/h12-15H,2-11H2,1H3/t12-,14+,15+/m0/s1
InChIKeyIDQBCULUVHLDSI-NWANDNLSSA-N
XLogP2.58
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2S)-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one with MolForge

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Related Compounds

(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-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2-methoxyethoxy)propan-1-one
CID 96999344
(2R)-2-butoxy-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one
CID 97027622
N-[(2S)-1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 95779648
(2R)-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxypropan-1-one
CID 97063014
(2S)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]propan-1-one
CID 129427663
(2S)-2-[[(2R)-oxan-2-yl]methoxy]-1-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 100865014
(2R)-1-[2-(oxan-2-ylmethoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119371915
(2S)-1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one
CID 97021448
2-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 129461982
(2S)-2-[[(2S)-oxan-2-yl]methoxy]-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 95348972
1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]prop-2-en-1-one
CID 166406186

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one?
The IUPAC name of (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) is (2S)-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one.
What is the SMILES notation for (2S)-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one?
The canonical SMILES for (2S)-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one is C[C@H](OC[C@H]1CCCCO1)C(=O)N1CCC[C@@H]1c1noc(C2CC2)n1.
What is the InChIKey of (2S)-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one?
The InChIKey is IDQBCULUVHLDSI-NWANDNLSSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-12(24-11-14-5-2-3-10-23-14)18(22)21-9-4-6-15(21)16-19-17(25-20-16)13-7-8-13/h12-15H,2-11H2,1H3/t12-,14+,15+/m0/s1.
What are the key properties of (2S)-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one?
(2S)-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one has a molecular weight of 349.43 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one is sourced from PubChem (CID 100858205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).