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

C14H17N3OS — CID 66445438

IUPAC3-benzyl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
SMILESc1ccc(Cc2noc(CC3CSCCN3)n2)cc1
InChIInChI=1S/C14H17N3OS/c1-2-4-11(5-3-1)8-13-16-14(18-17-13)9-12-10-19-7-6-15-12/h1-5,12,15H,6-10H2
InChIKeySLZDBWRKPKJVAM-UHFFFAOYSA-N
MW275.38 g/mol
LogP1.91
Rot. Bonds4

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

3-benzyl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole (PubChem CID 66445438) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 3-benzyl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-benzyl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
PubChem CID66445438
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name3-benzyl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
SMILESc1ccc(Cc2noc(CC3CSCCN3)n2)cc1
InChIInChI=1S/C14H17N3OS/c1-2-4-11(5-3-1)8-13-16-14(18-17-13)9-12-10-19-7-6-15-12/h1-5,12,15H,6-10H2
InChIKeySLZDBWRKPKJVAM-UHFFFAOYSA-N
XLogP1.91
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-bromophenyl)methyl]-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 66445829
N,N-dimethyl-2-[5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 113291096
3-propan-2-yl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 66443481
5-(thiomorpholin-3-ylmethyl)-3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazole
CID 66445248
3-pyridin-3-yl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 119947955
3-benzyl-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 62688942
3-(4-methoxyphenyl)-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 66445246
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-methyl-3-pyridinyl)-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 114877020
2-fluoro-4-[5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 136810123
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylmethanamine
CID 43663035

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-benzyl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole (CID 66445438) is 3-benzyl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-benzyl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-benzyl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole is c1ccc(Cc2noc(CC3CSCCN3)n2)cc1.
What is the InChIKey of 3-benzyl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is SLZDBWRKPKJVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-2-4-11(5-3-1)8-13-16-14(18-17-13)9-12-10-19-7-6-15-12/h1-5,12,15H,6-10H2.
What are the key properties of 3-benzyl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole?
3-benzyl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 275.38 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 66445438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).