5-cyclopropyl-3-[(2R)-1-[2-(cyclopropylmethoxy)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole

C15H23N3O2 — CID 97005237

IUPAC5-cyclopropyl-3-[(2R)-1-[2-(cyclopropylmethoxy)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESC1C[C@H](c2noc(C3CC3)n2)N(CCOCC2CC2)C1
InChIInChI=1S/C15H23N3O2/c1-2-13(14-16-15(20-17-14)12-5-6-12)18(7-1)8-9-19-10-11-3-4-11/h11-13H,1-10H2/t13-/m1/s1
InChIKeyHRAHNIUZYLWNNP-CYBMUJFWSA-N
MW277.37 g/mol
LogP2.51
Rot. Bonds7

About 5-cyclopropyl-3-[(2R)-1-[2-(cyclopropylmethoxy)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole

5-cyclopropyl-3-[(2R)-1-[2-(cyclopropylmethoxy)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole (PubChem CID 97005237) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-cyclopropyl-3-[(2R)-1-[2-(cyclopropylmethoxy)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[(2R)-1-[2-(cyclopropylmethoxy)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
PubChem CID97005237
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name5-cyclopropyl-3-[(2R)-1-[2-(cyclopropylmethoxy)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESC1C[C@H](c2noc(C3CC3)n2)N(CCOCC2CC2)C1
InChIInChI=1S/C15H23N3O2/c1-2-13(14-16-15(20-17-14)12-5-6-12)18(7-1)8-9-19-10-11-3-4-11/h11-13H,1-10H2/t13-/m1/s1
InChIKeyHRAHNIUZYLWNNP-CYBMUJFWSA-N
XLogP2.51
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[(2R)-1-[2-(cyclopropylmethoxy)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[(2R)-1-[2-(cyclopropylmethoxy)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole (CID 97005237) is 5-cyclopropyl-3-[(2R)-1-[2-(cyclopropylmethoxy)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[(2R)-1-[2-(cyclopropylmethoxy)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[(2R)-1-[2-(cyclopropylmethoxy)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole is C1C[C@H](c2noc(C3CC3)n2)N(CCOCC2CC2)C1.
What is the InChIKey of 5-cyclopropyl-3-[(2R)-1-[2-(cyclopropylmethoxy)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is HRAHNIUZYLWNNP-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-13(14-16-15(20-17-14)12-5-6-12)18(7-1)8-9-19-10-11-3-4-11/h11-13H,1-10H2/t13-/m1/s1.
What are the key properties of 5-cyclopropyl-3-[(2R)-1-[2-(cyclopropylmethoxy)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[(2R)-1-[2-(cyclopropylmethoxy)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 277.37 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[(2R)-1-[2-(cyclopropylmethoxy)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 97005237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).