2-[methoxy(phenyl)methyl]-5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole

C23H20N2O2S — CID 142316188

IUPAC2-[methoxy(phenyl)methyl]-5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole
SMILESCOC(c1ccccc1)c1nnc(SCc2ccccc2-c2ccccc2)o1
InChIInChI=1S/C23H20N2O2S/c1-26-21(18-12-6-3-7-13-18)22-24-25-23(27-22)28-16-19-14-8-9-15-20(19)17-10-4-2-5-11-17/h2-15,21H,16H2,1H3
InChIKeyFUDHWAZXZSHQAL-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.76
Rot. Bonds7

About 2-[methoxy(phenyl)methyl]-5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole

2-[methoxy(phenyl)methyl]-5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole (PubChem CID 142316188) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-[methoxy(phenyl)methyl]-5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[methoxy(phenyl)methyl]-5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole
PubChem CID142316188
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC Name2-[methoxy(phenyl)methyl]-5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole
SMILESCOC(c1ccccc1)c1nnc(SCc2ccccc2-c2ccccc2)o1
InChIInChI=1S/C23H20N2O2S/c1-26-21(18-12-6-3-7-13-18)22-24-25-23(27-22)28-16-19-14-8-9-15-20(19)17-10-4-2-5-11-17/h2-15,21H,16H2,1H3
InChIKeyFUDHWAZXZSHQAL-UHFFFAOYSA-N
XLogP5.76
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 62098909
2-[(3-methylphenyl)methyl]-5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 146324623
N-(4-bromophenyl)-5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-amine
CID 142316170
2-[(2-methylbenzimidazol-1-yl)methyl]-5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 142315882
1-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 3793514
2-benzylsulfanyl-5-propan-2-yl-1,3,4-oxadiazole
CID 28564111
2-[(2S)-1-(azepan-1-yl)propan-2-yl]-5-[(S)-methoxy(phenyl)methyl]-1,3,4-oxadiazole
CID 125419332
2-benzhydryl-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 19060730
4-bromo-N-[[5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 142315906
[(1S)-1-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-phenylethyl]azanium
CID 6956006
2-[(2-methoxyphenyl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 7683141
1-(2,2-dimethoxyethyl)-2-phenylbenzene
CID 174663950

Frequently Asked Questions

What is the IUPAC name of 2-[methoxy(phenyl)methyl]-5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[methoxy(phenyl)methyl]-5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole (CID 142316188) is 2-[methoxy(phenyl)methyl]-5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[methoxy(phenyl)methyl]-5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[methoxy(phenyl)methyl]-5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole is COC(c1ccccc1)c1nnc(SCc2ccccc2-c2ccccc2)o1.
What is the InChIKey of 2-[methoxy(phenyl)methyl]-5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is FUDHWAZXZSHQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-26-21(18-12-6-3-7-13-18)22-24-25-23(27-22)28-16-19-14-8-9-15-20(19)17-10-4-2-5-11-17/h2-15,21H,16H2,1H3.
What are the key properties of 2-[methoxy(phenyl)methyl]-5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole?
2-[methoxy(phenyl)methyl]-5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 388.49 g/mol, XLogP of 5.76, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxy(phenyl)methyl]-5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 142316188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).