1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl 1-benzylpyrrolidine-2-carboxylate

C19H23N3O3 — CID 75370802

IUPAC1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl 1-benzylpyrrolidine-2-carboxylate
SMILESCC(OC(=O)C1CCCN1Cc1ccccc1)c1nc(C2CC2)no1
InChIInChI=1S/C19H23N3O3/c1-13(18-20-17(21-25-18)15-9-10-15)24-19(23)16-8-5-11-22(16)12-14-6-3-2-4-7-14/h2-4,6-7,13,15-16H,5,8-12H2,1H3
InChIKeyHLQVQBDKPPWXSJ-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.22
Rot. Bonds6

About 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl 1-benzylpyrrolidine-2-carboxylate

1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl 1-benzylpyrrolidine-2-carboxylate (PubChem CID 75370802) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl 1-benzylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl 1-benzylpyrrolidine-2-carboxylate
PubChem CID75370802
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl 1-benzylpyrrolidine-2-carboxylate
SMILESCC(OC(=O)C1CCCN1Cc1ccccc1)c1nc(C2CC2)no1
InChIInChI=1S/C19H23N3O3/c1-13(18-20-17(21-25-18)15-9-10-15)24-19(23)16-8-5-11-22(16)12-14-6-3-2-4-7-14/h2-4,6-7,13,15-16H,5,8-12H2,1H3
InChIKeyHLQVQBDKPPWXSJ-UHFFFAOYSA-N
XLogP3.22
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl 1-benzylpyrrolidine-2-carboxylate?
The IUPAC name of 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl 1-benzylpyrrolidine-2-carboxylate (CID 75370802) is 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl 1-benzylpyrrolidine-2-carboxylate.
What is the SMILES notation for 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl 1-benzylpyrrolidine-2-carboxylate?
The canonical SMILES for 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl 1-benzylpyrrolidine-2-carboxylate is CC(OC(=O)C1CCCN1Cc1ccccc1)c1nc(C2CC2)no1.
What is the InChIKey of 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl 1-benzylpyrrolidine-2-carboxylate?
The InChIKey is HLQVQBDKPPWXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13(18-20-17(21-25-18)15-9-10-15)24-19(23)16-8-5-11-22(16)12-14-6-3-2-4-7-14/h2-4,6-7,13,15-16H,5,8-12H2,1H3.
What are the key properties of 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl 1-benzylpyrrolidine-2-carboxylate?
1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl 1-benzylpyrrolidine-2-carboxylate has a molecular weight of 341.41 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl 1-benzylpyrrolidine-2-carboxylate is sourced from PubChem (CID 75370802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).