3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylpropanamide

C20H27N3O2 — CID 2037423

IUPAC3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylpropanamide
SMILESCC(C)(C)c1ccc(-c2noc(CCC(=O)NC3CCCC3)n2)cc1
InChIInChI=1S/C20H27N3O2/c1-20(2,3)15-10-8-14(9-11-15)19-22-18(25-23-19)13-12-17(24)21-16-6-4-5-7-16/h8-11,16H,4-7,12-13H2,1-3H3,(H,21,24)
InChIKeyQRQMTUNRSNKSNB-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.03
Rot. Bonds5

About 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylpropanamide

3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylpropanamide (PubChem CID 2037423) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylpropanamide
PubChem CID2037423
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylpropanamide
SMILESCC(C)(C)c1ccc(-c2noc(CCC(=O)NC3CCCC3)n2)cc1
InChIInChI=1S/C20H27N3O2/c1-20(2,3)15-10-8-14(9-11-15)19-22-18(25-23-19)13-12-17(24)21-16-6-4-5-7-16/h8-11,16H,4-7,12-13H2,1-3H3,(H,21,24)
InChIKeyQRQMTUNRSNKSNB-UHFFFAOYSA-N
XLogP4.03
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylpropanamide?
The IUPAC name of 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylpropanamide (CID 2037423) is 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylpropanamide.
What is the SMILES notation for 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylpropanamide?
The canonical SMILES for 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylpropanamide is CC(C)(C)c1ccc(-c2noc(CCC(=O)NC3CCCC3)n2)cc1.
What is the InChIKey of 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylpropanamide?
The InChIKey is QRQMTUNRSNKSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-20(2,3)15-10-8-14(9-11-15)19-22-18(25-23-19)13-12-17(24)21-16-6-4-5-7-16/h8-11,16H,4-7,12-13H2,1-3H3,(H,21,24).
What are the key properties of 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylpropanamide?
3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylpropanamide has a molecular weight of 341.45 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylpropanamide is sourced from PubChem (CID 2037423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).