5-(4-methylphenyl)-3-[(4-phenylphthalazin-1-yl)sulfanylmethyl]-1,2,4-oxadiazole

C24H18N4OS — CID 24667024

IUPAC5-(4-methylphenyl)-3-[(4-phenylphthalazin-1-yl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(CSc3nnc(-c4ccccc4)c4ccccc34)no2)cc1
InChIInChI=1S/C24H18N4OS/c1-16-11-13-18(14-12-16)23-25-21(28-29-23)15-30-24-20-10-6-5-9-19(20)22(26-27-24)17-7-3-2-4-8-17/h2-14H,15H2,1H3
InChIKeyUXFYGJLORCHYQL-UHFFFAOYSA-N
MW410.50 g/mol
LogP5.95
Rot. Bonds5

About 5-(4-methylphenyl)-3-[(4-phenylphthalazin-1-yl)sulfanylmethyl]-1,2,4-oxadiazole

5-(4-methylphenyl)-3-[(4-phenylphthalazin-1-yl)sulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 24667024) has the molecular formula C24H18N4OS and a molecular weight of 410.50 g/mol. Its IUPAC name is 5-(4-methylphenyl)-3-[(4-phenylphthalazin-1-yl)sulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-methylphenyl)-3-[(4-phenylphthalazin-1-yl)sulfanylmethyl]-1,2,4-oxadiazole
PubChem CID24667024
Molecular FormulaC24H18N4OS
Molecular Weight410.50 g/mol
Exact Mass410.12
IUPAC Name5-(4-methylphenyl)-3-[(4-phenylphthalazin-1-yl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(CSc3nnc(-c4ccccc4)c4ccccc34)no2)cc1
InChIInChI=1S/C24H18N4OS/c1-16-11-13-18(14-12-16)23-25-21(28-29-23)15-30-24-20-10-6-5-9-19(20)22(26-27-24)17-7-3-2-4-8-17/h2-14H,15H2,1H3
InChIKeyUXFYGJLORCHYQL-UHFFFAOYSA-N
XLogP5.95
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.50
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-butylsulfanyl-4-(4-methylphenyl)phthalazine
CID 6407380
3-[(4-bromophenyl)sulfanylmethyl]-5-phenyl-1,2,4-oxadiazole
CID 54095590
1-(naphthalen-1-ylmethylsulfanyl)-4-phenylphthalazine
CID 7915599
4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104676807
5-(4-methoxyphenyl)-3-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 31531733
2-(4-bromophenyl)-5-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 30657321
N-benzyl-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetamide
CID 46367622
3-(2-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]quinazolin-4-one
CID 43047156
N,N-dimethyl-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]aniline
CID 20566334
3-(2-ethoxyphenyl)-5-[(4-phenylphthalazin-1-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 24597012
1-(4-fluorophenyl)-4-[(3-methylphenyl)methylsulfanyl]phthalazine
CID 7239500
3-ethyl-5-phenyl-1,2,4-oxadiazole
CID 20678688

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-3-[(4-phenylphthalazin-1-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(4-methylphenyl)-3-[(4-phenylphthalazin-1-yl)sulfanylmethyl]-1,2,4-oxadiazole (CID 24667024) is 5-(4-methylphenyl)-3-[(4-phenylphthalazin-1-yl)sulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-methylphenyl)-3-[(4-phenylphthalazin-1-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-methylphenyl)-3-[(4-phenylphthalazin-1-yl)sulfanylmethyl]-1,2,4-oxadiazole is Cc1ccc(-c2nc(CSc3nnc(-c4ccccc4)c4ccccc34)no2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-3-[(4-phenylphthalazin-1-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is UXFYGJLORCHYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4OS/c1-16-11-13-18(14-12-16)23-25-21(28-29-23)15-30-24-20-10-6-5-9-19(20)22(26-27-24)17-7-3-2-4-8-17/h2-14H,15H2,1H3.
What are the key properties of 5-(4-methylphenyl)-3-[(4-phenylphthalazin-1-yl)sulfanylmethyl]-1,2,4-oxadiazole?
5-(4-methylphenyl)-3-[(4-phenylphthalazin-1-yl)sulfanylmethyl]-1,2,4-oxadiazole has a molecular weight of 410.50 g/mol, XLogP of 5.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-3-[(4-phenylphthalazin-1-yl)sulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 24667024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).