2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole

C17H21N3O2 — CID 51137489

IUPAC2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc([C@H]3CCN(C4CCC4)C3)o2)cc1
InChIInChI=1S/C17H21N3O2/c1-21-15-7-5-12(6-8-15)16-18-19-17(22-16)13-9-10-20(11-13)14-3-2-4-14/h5-8,13-14H,2-4,9-11H2,1H3/t13-/m0/s1
InChIKeyWVXCRXZSHLMJJY-ZDUSSCGKSA-N
MW299.37 g/mol
LogP3.09
Rot. Bonds4

About 2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole

2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole (PubChem CID 51137489) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
PubChem CID51137489
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc([C@H]3CCN(C4CCC4)C3)o2)cc1
InChIInChI=1S/C17H21N3O2/c1-21-15-7-5-12(6-8-15)16-18-19-17(22-16)13-9-10-20(11-13)14-3-2-4-14/h5-8,13-14H,2-4,9-11H2,1H3/t13-/m0/s1
InChIKeyWVXCRXZSHLMJJY-ZDUSSCGKSA-N
XLogP3.09
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole (CID 51137489) is 2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole is COc1ccc(-c2nnc([C@H]3CCN(C4CCC4)C3)o2)cc1.
What is the InChIKey of 2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is WVXCRXZSHLMJJY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-21-15-7-5-12(6-8-15)16-18-19-17(22-16)13-9-10-20(11-13)14-3-2-4-14/h5-8,13-14H,2-4,9-11H2,1H3/t13-/m0/s1.
What are the key properties of 2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 299.37 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 51137489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).