2-(methylsulfanylmethyl)-5-[(R)-phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl-1,3,4-oxadiazole

C19H16N4O2S2 — CID 96529949

IUPAC2-(methylsulfanylmethyl)-5-[(R)-phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl-1,3,4-oxadiazole
SMILESCSCc1nnc(S[C@H](c2ccccc2)c2nc(-c3ccccc3)no2)o1
InChIInChI=1S/C19H16N4O2S2/c1-26-12-15-21-22-19(24-15)27-16(13-8-4-2-5-9-13)18-20-17(23-25-18)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3/t16-/m1/s1
InChIKeyBQPFNAUAPATUEL-MRXNPFEDSA-N
MW396.50 g/mol
LogP4.86
Rot. Bonds7

About 2-(methylsulfanylmethyl)-5-[(R)-phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl-1,3,4-oxadiazole

2-(methylsulfanylmethyl)-5-[(R)-phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl-1,3,4-oxadiazole (PubChem CID 96529949) has the molecular formula C19H16N4O2S2 and a molecular weight of 396.50 g/mol. Its IUPAC name is 2-(methylsulfanylmethyl)-5-[(R)-phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(methylsulfanylmethyl)-5-[(R)-phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl-1,3,4-oxadiazole
PubChem CID96529949
Molecular FormulaC19H16N4O2S2
Molecular Weight396.50 g/mol
Exact Mass396.07
IUPAC Name2-(methylsulfanylmethyl)-5-[(R)-phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl-1,3,4-oxadiazole
SMILESCSCc1nnc(S[C@H](c2ccccc2)c2nc(-c3ccccc3)no2)o1
InChIInChI=1S/C19H16N4O2S2/c1-26-12-15-21-22-19(24-15)27-16(13-8-4-2-5-9-13)18-20-17(23-25-18)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3/t16-/m1/s1
InChIKeyBQPFNAUAPATUEL-MRXNPFEDSA-N
XLogP4.86
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(methylsulfanylmethyl)-5-[(R)-phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 8707965
2-(methylsulfanylmethyl)-5-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 18129305
2-benzyl-5-[(1R)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-1,3,4-oxadiazole
CID 30256969
3-methylsulfanyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 43103233
5-[(1R)-1-(4-methylphenyl)sulfanylethyl]-3-phenyl-1,2,4-oxadiazole
CID 2233558
3-(4-methylphenyl)-5-[(1S)-1-phenylpropyl]-1,2,4-oxadiazole
CID 803156
ethane;5-(methylsulfanylmethyl)-3-phenyl-1,2,4-oxadiazole;nitromethane
CID 90693620
(R)-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 106847418
ethane;2-(methylsulfanylmethyl)-5-phenyl-1,3,4-oxadiazole
CID 178170665
1-phenyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 104847315
3-phenyl-5-[(R)-phenyl-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]methyl]-1,2,4-oxadiazole
CID 96529950
2-(2-methoxyphenyl)-5-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-oxadiazole
CID 51259692

Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfanylmethyl)-5-[(R)-phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl-1,3,4-oxadiazole?
The IUPAC name of 2-(methylsulfanylmethyl)-5-[(R)-phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl-1,3,4-oxadiazole (CID 96529949) is 2-(methylsulfanylmethyl)-5-[(R)-phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(methylsulfanylmethyl)-5-[(R)-phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(methylsulfanylmethyl)-5-[(R)-phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl-1,3,4-oxadiazole is CSCc1nnc(S[C@H](c2ccccc2)c2nc(-c3ccccc3)no2)o1.
What is the InChIKey of 2-(methylsulfanylmethyl)-5-[(R)-phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl-1,3,4-oxadiazole?
The InChIKey is BQPFNAUAPATUEL-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H16N4O2S2/c1-26-12-15-21-22-19(24-15)27-16(13-8-4-2-5-9-13)18-20-17(23-25-18)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3/t16-/m1/s1.
What are the key properties of 2-(methylsulfanylmethyl)-5-[(R)-phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl-1,3,4-oxadiazole?
2-(methylsulfanylmethyl)-5-[(R)-phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl-1,3,4-oxadiazole has a molecular weight of 396.50 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfanylmethyl)-5-[(R)-phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl-1,3,4-oxadiazole is sourced from PubChem (CID 96529949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).