1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]cyclobutan-1-amine

C15H20N4O2S — CID 99583016

IUPAC1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]cyclobutan-1-amine
SMILESCc1nc(C2(NCc3csc([C@H]4CCCO4)n3)CCC2)no1
InChIInChI=1S/C15H20N4O2S/c1-10-17-14(19-21-10)15(5-3-6-15)16-8-11-9-22-13(18-11)12-4-2-7-20-12/h9,12,16H,2-8H2,1H3/t12-/m1/s1
InChIKeyMDTXVADBXSXRCO-GFCCVEGCSA-N
MW320.42 g/mol
LogP2.86
Rot. Bonds5

About 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]cyclobutan-1-amine

1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]cyclobutan-1-amine (PubChem CID 99583016) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]cyclobutan-1-amine
PubChem CID99583016
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]cyclobutan-1-amine
SMILESCc1nc(C2(NCc3csc([C@H]4CCCO4)n3)CCC2)no1
InChIInChI=1S/C15H20N4O2S/c1-10-17-14(19-21-10)15(5-3-6-15)16-8-11-9-22-13(18-11)12-4-2-7-20-12/h9,12,16H,2-8H2,1H3/t12-/m1/s1
InChIKeyMDTXVADBXSXRCO-GFCCVEGCSA-N
XLogP2.86
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]cyclobutan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 65328319
2,5,6-trimethyl-4-[4-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]methyl]-1,3-thiazol-2-yl]pyridazin-3-one
CID 75457147
[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methanamine
CID 64982766
2-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 65328335
(1R)-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]-1-phenylethanamine
CID 86782178
5-bromo-2,4-dimethoxy-N-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]aniline
CID 99701326
1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(oxan-2-yloxy)ethyl]cyclohexan-1-amine
CID 127838387
(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]ethanamine
CID 97333428
1,3-dimethyl-6-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]methyl]pyrimidine-2,4-dione
CID 56819906
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)aniline
CID 71913483
2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 51098350
trans-(1S,2S)-2-[[2-[(2S)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl-propan-2-ylamino]cyclohexan-1-ol
CID 98875782

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]cyclobutan-1-amine?
The IUPAC name of 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]cyclobutan-1-amine (CID 99583016) is 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]cyclobutan-1-amine?
The canonical SMILES for 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]cyclobutan-1-amine is Cc1nc(C2(NCc3csc([C@H]4CCCO4)n3)CCC2)no1.
What is the InChIKey of 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]cyclobutan-1-amine?
The InChIKey is MDTXVADBXSXRCO-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-10-17-14(19-21-10)15(5-3-6-15)16-8-11-9-22-13(18-11)12-4-2-7-20-12/h9,12,16H,2-8H2,1H3/t12-/m1/s1.
What are the key properties of 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]cyclobutan-1-amine?
1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]cyclobutan-1-amine has a molecular weight of 320.42 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]cyclobutan-1-amine is sourced from PubChem (CID 99583016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).