3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

C18H23N3O2S — CID 122134159

IUPAC3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
SMILESCSCc1noc(CCC(=O)NC2c3ccccc3CCC2C)n1
InChIInChI=1S/C18H23N3O2S/c1-12-7-8-13-5-3-4-6-14(13)18(12)20-16(22)9-10-17-19-15(11-24-2)21-23-17/h3-6,12,18H,7-11H2,1-2H3,(H,20,22)
InChIKeyKRZJICGYRQHPHS-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.31
Rot. Bonds6

About 3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (PubChem CID 122134159) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.

Molecular Properties

Compound Name3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
PubChem CID122134159
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
SMILESCSCc1noc(CCC(=O)NC2c3ccccc3CCC2C)n1
InChIInChI=1S/C18H23N3O2S/c1-12-7-8-13-5-3-4-6-14(13)18(12)20-16(22)9-10-17-19-15(11-24-2)21-23-17/h3-6,12,18H,7-11H2,1-2H3,(H,20,22)
InChIKeyKRZJICGYRQHPHS-UHFFFAOYSA-N
XLogP3.31
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-[(1R,2R)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 124569740
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 97114693
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]propanamide
CID 98682462
2-[3-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxopropyl]benzoic acid
CID 120550949
3-(dimethylsulfamoyl)-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 75499008
3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 62691705
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 39547105
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]butanamide
CID 95161267
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]propanamide
CID 96548701
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 95795877
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide
CID 136512289
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 124742438

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The IUPAC name of 3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (CID 122134159) is 3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.
What is the SMILES notation for 3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The canonical SMILES for 3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is CSCc1noc(CCC(=O)NC2c3ccccc3CCC2C)n1.
What is the InChIKey of 3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The InChIKey is KRZJICGYRQHPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12-7-8-13-5-3-4-6-14(13)18(12)20-16(22)9-10-17-19-15(11-24-2)21-23-17/h3-6,12,18H,7-11H2,1-2H3,(H,20,22).
What are the key properties of 3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide has a molecular weight of 345.47 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is sourced from PubChem (CID 122134159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).