5-ethyl-3-methyl-1,2,4-oxadiazole;methyl formate;2-methylpropane;2-[5-(2-methylpropyl)pyrrolidin-2-yl]-1,3-thiazole

C22H40N4O3S — CID 142238291

IUPAC5-ethyl-3-methyl-1,2,4-oxadiazole;methyl formate;2-methylpropane;2-[5-(2-methylpropyl)pyrrolidin-2-yl]-1,3-thiazole
SMILESCC(C)C.CC(C)CC1CCC(c2nccs2)N1.CCc1nc(C)no1.COC=O
InChIInChI=1S/C11H18N2S.C5H8N2O.C4H10.C2H4O2/c1-8(2)7-9-3-4-10(13-9)11-12-5-6-14-11;1-3-5-6-4(2)7-8-5;1-4(2)3;1-4-2-3/h5-6,8-10,13H,3-4,7H2,1-2H3;3H2,1-2H3;4H,1-3H3;2H,1H3
InChIKeyWANNDKXIQJGFHG-UHFFFAOYSA-N
MW440.65 g/mol
LogP5.37
Rot. Bonds5

About 5-ethyl-3-methyl-1,2,4-oxadiazole;methyl formate;2-methylpropane;2-[5-(2-methylpropyl)pyrrolidin-2-yl]-1,3-thiazole

5-ethyl-3-methyl-1,2,4-oxadiazole;methyl formate;2-methylpropane;2-[5-(2-methylpropyl)pyrrolidin-2-yl]-1,3-thiazole (PubChem CID 142238291) has the molecular formula C22H40N4O3S and a molecular weight of 440.65 g/mol. Its IUPAC name is 5-ethyl-3-methyl-1,2,4-oxadiazole;methyl formate;2-methylpropane;2-[5-(2-methylpropyl)pyrrolidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-ethyl-3-methyl-1,2,4-oxadiazole;methyl formate;2-methylpropane;2-[5-(2-methylpropyl)pyrrolidin-2-yl]-1,3-thiazole
PubChem CID142238291
Molecular FormulaC22H40N4O3S
Molecular Weight440.65 g/mol
Exact Mass440.28
IUPAC Name5-ethyl-3-methyl-1,2,4-oxadiazole;methyl formate;2-methylpropane;2-[5-(2-methylpropyl)pyrrolidin-2-yl]-1,3-thiazole
SMILESCC(C)C.CC(C)CC1CCC(c2nccs2)N1.CCc1nc(C)no1.COC=O
InChIInChI=1S/C11H18N2S.C5H8N2O.C4H10.C2H4O2/c1-8(2)7-9-3-4-10(13-9)11-12-5-6-14-11;1-3-5-6-4(2)7-8-5;1-4(2)3;1-4-2-3/h5-6,8-10,13H,3-4,7H2,1-2H3;3H2,1-2H3;4H,1-3H3;2H,1H3
InChIKeyWANNDKXIQJGFHG-UHFFFAOYSA-N
XLogP5.37
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.65
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-ethyl-3-methyl-1,2,4-oxadiazole;methyl formate;2-methylpropane;2-[5-(2-methylpropyl)pyrrolidin-2-yl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyl-1,2,4-oxadiazole;methyl formate;2-methylpropane;2-[5-(2-methylpropyl)pyrrolidin-2-yl]-1,3-thiazole?
The IUPAC name of 5-ethyl-3-methyl-1,2,4-oxadiazole;methyl formate;2-methylpropane;2-[5-(2-methylpropyl)pyrrolidin-2-yl]-1,3-thiazole (CID 142238291) is 5-ethyl-3-methyl-1,2,4-oxadiazole;methyl formate;2-methylpropane;2-[5-(2-methylpropyl)pyrrolidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 5-ethyl-3-methyl-1,2,4-oxadiazole;methyl formate;2-methylpropane;2-[5-(2-methylpropyl)pyrrolidin-2-yl]-1,3-thiazole?
The canonical SMILES for 5-ethyl-3-methyl-1,2,4-oxadiazole;methyl formate;2-methylpropane;2-[5-(2-methylpropyl)pyrrolidin-2-yl]-1,3-thiazole is CC(C)C.CC(C)CC1CCC(c2nccs2)N1.CCc1nc(C)no1.COC=O.
What is the InChIKey of 5-ethyl-3-methyl-1,2,4-oxadiazole;methyl formate;2-methylpropane;2-[5-(2-methylpropyl)pyrrolidin-2-yl]-1,3-thiazole?
The InChIKey is WANNDKXIQJGFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S.C5H8N2O.C4H10.C2H4O2/c1-8(2)7-9-3-4-10(13-9)11-12-5-6-14-11;1-3-5-6-4(2)7-8-5;1-4(2)3;1-4-2-3/h5-6,8-10,13H,3-4,7H2,1-2H3;3H2,1-2H3;4H,1-3H3;2H,1H3.
What are the key properties of 5-ethyl-3-methyl-1,2,4-oxadiazole;methyl formate;2-methylpropane;2-[5-(2-methylpropyl)pyrrolidin-2-yl]-1,3-thiazole?
5-ethyl-3-methyl-1,2,4-oxadiazole;methyl formate;2-methylpropane;2-[5-(2-methylpropyl)pyrrolidin-2-yl]-1,3-thiazole has a molecular weight of 440.65 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-1,2,4-oxadiazole;methyl formate;2-methylpropane;2-[5-(2-methylpropyl)pyrrolidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 142238291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).