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

C17H21N3O — CID 51137416

IUPAC2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc([C@H]3CCN(C4CCC4)C3)o2)cc1
InChIInChI=1S/C17H21N3O/c1-12-5-7-13(8-6-12)16-18-19-17(21-16)14-9-10-20(11-14)15-3-2-4-15/h5-8,14-15H,2-4,9-11H2,1H3/t14-/m0/s1
InChIKeyJWKYIPBCVJTXME-AWEZNQCLSA-N
MW283.38 g/mol
LogP3.39
Rot. Bonds3

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

2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole (PubChem CID 51137416) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
PubChem CID51137416
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc([C@H]3CCN(C4CCC4)C3)o2)cc1
InChIInChI=1S/C17H21N3O/c1-12-5-7-13(8-6-12)16-18-19-17(21-16)14-9-10-20(11-14)15-3-2-4-15/h5-8,14-15H,2-4,9-11H2,1H3/t14-/m0/s1
InChIKeyJWKYIPBCVJTXME-AWEZNQCLSA-N
XLogP3.39
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole (CID 51137416) is 2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole is Cc1ccc(-c2nnc([C@H]3CCN(C4CCC4)C3)o2)cc1.
What is the InChIKey of 2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is JWKYIPBCVJTXME-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-5-7-13(8-6-12)16-18-19-17(21-16)14-9-10-20(11-14)15-3-2-4-15/h5-8,14-15H,2-4,9-11H2,1H3/t14-/m0/s1.
What are the key properties of 2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 283.38 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 51137416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).