2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclopropylpropanamide

C13H21N3O2S — CID 47321486

IUPAC2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclopropylpropanamide
SMILESCC(SCc1nc(C(C)(C)C)no1)C(=O)NC1CC1
InChIInChI=1S/C13H21N3O2S/c1-8(11(17)14-9-5-6-9)19-7-10-15-12(16-18-10)13(2,3)4/h8-9H,5-7H2,1-4H3,(H,14,17)
InChIKeyNGBVARBXTBSVEV-UHFFFAOYSA-N
MW283.40 g/mol
LogP2.27
Rot. Bonds5

About 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclopropylpropanamide

2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclopropylpropanamide (PubChem CID 47321486) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclopropylpropanamide
PubChem CID47321486
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclopropylpropanamide
SMILESCC(SCc1nc(C(C)(C)C)no1)C(=O)NC1CC1
InChIInChI=1S/C13H21N3O2S/c1-8(11(17)14-9-5-6-9)19-7-10-15-12(16-18-10)13(2,3)4/h8-9H,5-7H2,1-4H3,(H,14,17)
InChIKeyNGBVARBXTBSVEV-UHFFFAOYSA-N
XLogP2.27
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclopropylpropanamide?
The IUPAC name of 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclopropylpropanamide (CID 47321486) is 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclopropylpropanamide is CC(SCc1nc(C(C)(C)C)no1)C(=O)NC1CC1.
What is the InChIKey of 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclopropylpropanamide?
The InChIKey is NGBVARBXTBSVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-8(11(17)14-9-5-6-9)19-7-10-15-12(16-18-10)13(2,3)4/h8-9H,5-7H2,1-4H3,(H,14,17).
What are the key properties of 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclopropylpropanamide?
2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclopropylpropanamide has a molecular weight of 283.40 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclopropylpropanamide is sourced from PubChem (CID 47321486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).