3-propan-2-yl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole

C10H17N3OS — CID 66443481

IUPAC3-propan-2-yl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
SMILESCC(C)c1noc(CC2CSCCN2)n1
InChIInChI=1S/C10H17N3OS/c1-7(2)10-12-9(14-13-10)5-8-6-15-4-3-11-8/h7-8,11H,3-6H2,1-2H3
InChIKeyVBACXVONBWUNFT-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.44
Rot. Bonds3

About 3-propan-2-yl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole

3-propan-2-yl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole (PubChem CID 66443481) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-propan-2-yl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-propan-2-yl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
PubChem CID66443481
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name3-propan-2-yl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
SMILESCC(C)c1noc(CC2CSCCN2)n1
InChIInChI=1S/C10H17N3OS/c1-7(2)10-12-9(14-13-10)5-8-6-15-4-3-11-8/h7-8,11H,3-6H2,1-2H3
InChIKeyVBACXVONBWUNFT-UHFFFAOYSA-N
XLogP1.44
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-ethoxy-2-methylpropyl)-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 116703126
N,N-dimethyl-2-[5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 113291096
3-piperidin-1-yl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 116807073
3-(1-adamantyl)-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 119947899
3-(4-methoxyphenyl)-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 66445246
3-benzyl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 66445438
3-(4-methyl-3-pyridinyl)-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 114877020
5-(thiomorpholin-3-ylmethyl)-3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazole
CID 66445248
3-(1,4-dioxan-2-yl)-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 66443293
3-(1-methoxy-4-methylcyclohexyl)-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 116742446
3-(2-fluorophenyl)-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 66444466
3-(4-fluoro-3-methylphenyl)-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 119948241

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-propan-2-yl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole (CID 66443481) is 3-propan-2-yl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-propan-2-yl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-propan-2-yl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole is CC(C)c1noc(CC2CSCCN2)n1.
What is the InChIKey of 3-propan-2-yl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is VBACXVONBWUNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-7(2)10-12-9(14-13-10)5-8-6-15-4-3-11-8/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 3-propan-2-yl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole?
3-propan-2-yl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 227.33 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 66443481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).