2-methyl-5-[(1S)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]ethyl]-1,3,4-oxadiazole

C15H18N2OS — CID 95336103

IUPAC2-methyl-5-[(1S)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]ethyl]-1,3,4-oxadiazole
SMILESCc1nnc([C@H](C)S[C@@H]2CCCc3ccccc32)o1
InChIInChI=1S/C15H18N2OS/c1-10(15-17-16-11(2)18-15)19-14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,10,14H,5,7,9H2,1-2H3/t10-,14+/m0/s1
InChIKeyHGWWLFWIMBSYSZ-IINYFYTJSA-N
MW274.39 g/mol
LogP4.25
Rot. Bonds3

About 2-methyl-5-[(1S)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]ethyl]-1,3,4-oxadiazole

2-methyl-5-[(1S)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]ethyl]-1,3,4-oxadiazole (PubChem CID 95336103) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-methyl-5-[(1S)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[(1S)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]ethyl]-1,3,4-oxadiazole
PubChem CID95336103
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-methyl-5-[(1S)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]ethyl]-1,3,4-oxadiazole
SMILESCc1nnc([C@H](C)S[C@@H]2CCCc3ccccc32)o1
InChIInChI=1S/C15H18N2OS/c1-10(15-17-16-11(2)18-15)19-14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,10,14H,5,7,9H2,1-2H3/t10-,14+/m0/s1
InChIKeyHGWWLFWIMBSYSZ-IINYFYTJSA-N
XLogP4.25
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-5-[(1S)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]ethyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

(2S)-N-pyrimidin-2-yl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propanamide
CID 95316704
2-ethyl-5-[(1S)-1-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]sulfanyl]ethyl]-1,3,4-oxadiazole
CID 97224814
(2S)-1-morpholin-4-yl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propan-1-one
CID 52505275
ethane;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 144539733
1-(2,6-dimethylphenyl)-5-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]tetrazole
CID 52531160
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
(1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 158216876
1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 63247593
2-[(1S)-1-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)ethyl]-5-methyl-1,3,4-oxadiazole
CID 95294360
1-[(2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 95234706
(1R)-1-cyclohexyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 81384440
(1R)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine
CID 78937787

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(1S)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[(1S)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]ethyl]-1,3,4-oxadiazole (CID 95336103) is 2-methyl-5-[(1S)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[(1S)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[(1S)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]ethyl]-1,3,4-oxadiazole is Cc1nnc([C@H](C)S[C@@H]2CCCc3ccccc32)o1.
What is the InChIKey of 2-methyl-5-[(1S)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]ethyl]-1,3,4-oxadiazole?
The InChIKey is HGWWLFWIMBSYSZ-IINYFYTJSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10(15-17-16-11(2)18-15)19-14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,10,14H,5,7,9H2,1-2H3/t10-,14+/m0/s1.
What are the key properties of 2-methyl-5-[(1S)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]ethyl]-1,3,4-oxadiazole?
2-methyl-5-[(1S)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]ethyl]-1,3,4-oxadiazole has a molecular weight of 274.39 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(1S)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 95336103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).