3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(thiophen-3-ylmethyl)propanamide

C20H20ClN3O2S — CID 25303591

IUPAC3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(thiophen-3-ylmethyl)propanamide
SMILESO=C(CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)NCc1ccsc1
InChIInChI=1S/C20H20ClN3O2S/c21-16-4-2-15(3-5-16)20(9-1-10-20)19-24-23-18(26-19)7-6-17(25)22-12-14-8-11-27-13-14/h2-5,8,11,13H,1,6-7,9-10,12H2,(H,22,25)
InChIKeyIERXOKYQBTZXJH-UHFFFAOYSA-N
MW401.92 g/mol
LogP4.50
Rot. Bonds7

About 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(thiophen-3-ylmethyl)propanamide

3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(thiophen-3-ylmethyl)propanamide (PubChem CID 25303591) has the molecular formula C20H20ClN3O2S and a molecular weight of 401.92 g/mol. Its IUPAC name is 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(thiophen-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(thiophen-3-ylmethyl)propanamide
PubChem CID25303591
Molecular FormulaC20H20ClN3O2S
Molecular Weight401.92 g/mol
Exact Mass401.10
IUPAC Name3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(thiophen-3-ylmethyl)propanamide
SMILESO=C(CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)NCc1ccsc1
InChIInChI=1S/C20H20ClN3O2S/c21-16-4-2-15(3-5-16)20(9-1-10-20)19-24-23-18(26-19)7-6-17(25)22-12-14-8-11-27-13-14/h2-5,8,11,13H,1,6-7,9-10,12H2,(H,22,25)
InChIKeyIERXOKYQBTZXJH-UHFFFAOYSA-N
XLogP4.50
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(thiophen-3-ylmethyl)propanamide?
The IUPAC name of 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(thiophen-3-ylmethyl)propanamide (CID 25303591) is 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(thiophen-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(thiophen-3-ylmethyl)propanamide?
The canonical SMILES for 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(thiophen-3-ylmethyl)propanamide is O=C(CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)NCc1ccsc1.
What is the InChIKey of 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(thiophen-3-ylmethyl)propanamide?
The InChIKey is IERXOKYQBTZXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2S/c21-16-4-2-15(3-5-16)20(9-1-10-20)19-24-23-18(26-19)7-6-17(25)22-12-14-8-11-27-13-14/h2-5,8,11,13H,1,6-7,9-10,12H2,(H,22,25).
What are the key properties of 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(thiophen-3-ylmethyl)propanamide?
3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(thiophen-3-ylmethyl)propanamide has a molecular weight of 401.92 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-N-(thiophen-3-ylmethyl)propanamide is sourced from PubChem (CID 25303591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).