1-cyclobutyloxy-2-[5-(thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine

C11H15N5O2S — CID 104637468

IUPAC1-cyclobutyloxy-2-[5-(thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(N)(COC1CCC1)c1noc(-c2cnns2)n1
InChIInChI=1S/C11H15N5O2S/c1-11(12,6-17-7-3-2-4-7)10-14-9(18-15-10)8-5-13-16-19-8/h5,7H,2-4,6,12H2,1H3
InChIKeyQMCJVVPUYFSZIX-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.33
Rot. Bonds5

About 1-cyclobutyloxy-2-[5-(thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine

1-cyclobutyloxy-2-[5-(thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 104637468) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 1-cyclobutyloxy-2-[5-(thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-cyclobutyloxy-2-[5-(thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID104637468
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name1-cyclobutyloxy-2-[5-(thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(N)(COC1CCC1)c1noc(-c2cnns2)n1
InChIInChI=1S/C11H15N5O2S/c1-11(12,6-17-7-3-2-4-7)10-14-9(18-15-10)8-5-13-16-19-8/h5,7H,2-4,6,12H2,1H3
InChIKeyQMCJVVPUYFSZIX-UHFFFAOYSA-N
XLogP1.33
TPSA99.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-cyclobutyloxy-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104637415
1-cyclobutyloxy-2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)propan-2-amine
CID 104637444
1-cyclobutyloxy-2-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104637417
1-cyclobutyloxy-2-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104637493
1-[5-(thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 65215428
2-[5-(cyclobutylmethyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 103166275
2-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 104637128
1-ethoxy-2-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)propan-2-amine
CID 102922612
1-methoxy-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636304
2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-1-methoxypropan-2-amine
CID 104636584
4-[5-(thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]aniline
CID 63904423
1-propoxy-2-[5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104637010

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyloxy-2-[5-(thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 1-cyclobutyloxy-2-[5-(thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 104637468) is 1-cyclobutyloxy-2-[5-(thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 1-cyclobutyloxy-2-[5-(thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 1-cyclobutyloxy-2-[5-(thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine is CC(N)(COC1CCC1)c1noc(-c2cnns2)n1.
What is the InChIKey of 1-cyclobutyloxy-2-[5-(thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is QMCJVVPUYFSZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-11(12,6-17-7-3-2-4-7)10-14-9(18-15-10)8-5-13-16-19-8/h5,7H,2-4,6,12H2,1H3.
What are the key properties of 1-cyclobutyloxy-2-[5-(thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
1-cyclobutyloxy-2-[5-(thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 281.34 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyloxy-2-[5-(thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 104637468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).