3-[(1R)-1-ethylsulfanylethyl]-5-[(1-phenyl-1,2,4-triazol-3-yl)methylsulfanylmethyl]-1,2,4-oxadiazole

C16H19N5OS2 — CID 97157434

IUPAC3-[(1R)-1-ethylsulfanylethyl]-5-[(1-phenyl-1,2,4-triazol-3-yl)methylsulfanylmethyl]-1,2,4-oxadiazole
SMILESCCS[C@H](C)c1noc(CSCc2ncn(-c3ccccc3)n2)n1
InChIInChI=1S/C16H19N5OS2/c1-3-24-12(2)16-18-15(22-20-16)10-23-9-14-17-11-21(19-14)13-7-5-4-6-8-13/h4-8,11-12H,3,9-10H2,1-2H3/t12-/m1/s1
InChIKeyXCUGRVXOJLGXHZ-GFCCVEGCSA-N
MW361.50 g/mol
LogP3.90
Rot. Bonds8

About 3-[(1R)-1-ethylsulfanylethyl]-5-[(1-phenyl-1,2,4-triazol-3-yl)methylsulfanylmethyl]-1,2,4-oxadiazole

3-[(1R)-1-ethylsulfanylethyl]-5-[(1-phenyl-1,2,4-triazol-3-yl)methylsulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 97157434) has the molecular formula C16H19N5OS2 and a molecular weight of 361.50 g/mol. Its IUPAC name is 3-[(1R)-1-ethylsulfanylethyl]-5-[(1-phenyl-1,2,4-triazol-3-yl)methylsulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(1R)-1-ethylsulfanylethyl]-5-[(1-phenyl-1,2,4-triazol-3-yl)methylsulfanylmethyl]-1,2,4-oxadiazole
PubChem CID97157434
Molecular FormulaC16H19N5OS2
Molecular Weight361.50 g/mol
Exact Mass361.10
IUPAC Name3-[(1R)-1-ethylsulfanylethyl]-5-[(1-phenyl-1,2,4-triazol-3-yl)methylsulfanylmethyl]-1,2,4-oxadiazole
SMILESCCS[C@H](C)c1noc(CSCc2ncn(-c3ccccc3)n2)n1
InChIInChI=1S/C16H19N5OS2/c1-3-24-12(2)16-18-15(22-20-16)10-23-9-14-17-11-21(19-14)13-7-5-4-6-8-13/h4-8,11-12H,3,9-10H2,1-2H3/t12-/m1/s1
InChIKeyXCUGRVXOJLGXHZ-GFCCVEGCSA-N
XLogP3.90
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.50
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[(1R)-1-ethylsulfanylethyl]-5-[(1-phenyl-1,2,4-triazol-3-yl)methylsulfanylmethyl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-ethylsulfanylethyl)-5-[(1-phenyl-1,2,4-triazol-3-yl)methylsulfanylmethyl]-1,2,4-oxadiazole
CID 91646851
5-(benzylsulfanylmethyl)-3-butyl-1,2,4-oxadiazole
CID 78846456
3-butyl-5-[(2-methylphenyl)methylsulfanylmethyl]-1,2,4-oxadiazole
CID 78846380
(2S)-1,1,1-trifluoro-3-[(1-phenyl-1,2,4-triazol-3-yl)methylsulfanyl]propan-2-ol
CID 99832805
5-(benzylsulfanylmethyl)-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 78838232
4-[[3-(1-ethylsulfanylethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,N-dimethyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 71847370
5-[(4,5-dimethylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 115616737
6-[[3-(1-ethylsulfanylethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]pyridine-2-carbonitrile
CID 86779474
2-[[3-(1-ethylsulfanylethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 71847362
2-[[3-[(1S)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 97029945
2-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid
CID 104570818
2-[[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid
CID 116632871

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-ethylsulfanylethyl]-5-[(1-phenyl-1,2,4-triazol-3-yl)methylsulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(1R)-1-ethylsulfanylethyl]-5-[(1-phenyl-1,2,4-triazol-3-yl)methylsulfanylmethyl]-1,2,4-oxadiazole (CID 97157434) is 3-[(1R)-1-ethylsulfanylethyl]-5-[(1-phenyl-1,2,4-triazol-3-yl)methylsulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(1R)-1-ethylsulfanylethyl]-5-[(1-phenyl-1,2,4-triazol-3-yl)methylsulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(1R)-1-ethylsulfanylethyl]-5-[(1-phenyl-1,2,4-triazol-3-yl)methylsulfanylmethyl]-1,2,4-oxadiazole is CCS[C@H](C)c1noc(CSCc2ncn(-c3ccccc3)n2)n1.
What is the InChIKey of 3-[(1R)-1-ethylsulfanylethyl]-5-[(1-phenyl-1,2,4-triazol-3-yl)methylsulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is XCUGRVXOJLGXHZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N5OS2/c1-3-24-12(2)16-18-15(22-20-16)10-23-9-14-17-11-21(19-14)13-7-5-4-6-8-13/h4-8,11-12H,3,9-10H2,1-2H3/t12-/m1/s1.
What are the key properties of 3-[(1R)-1-ethylsulfanylethyl]-5-[(1-phenyl-1,2,4-triazol-3-yl)methylsulfanylmethyl]-1,2,4-oxadiazole?
3-[(1R)-1-ethylsulfanylethyl]-5-[(1-phenyl-1,2,4-triazol-3-yl)methylsulfanylmethyl]-1,2,4-oxadiazole has a molecular weight of 361.50 g/mol, XLogP of 3.90, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-ethylsulfanylethyl]-5-[(1-phenyl-1,2,4-triazol-3-yl)methylsulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 97157434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).