5-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-phenylimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one

C24H18N4O4S — CID 59240040

IUPAC5-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-phenylimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one
SMILESCS(=O)(=O)c1cccc(-c2ccc(-n3cc(-c4n[nH]c(=O)o4)nc3-c3ccccc3)cc2)c1
InChIInChI=1S/C24H18N4O4S/c1-33(30,31)20-9-5-8-18(14-20)16-10-12-19(13-11-16)28-15-21(23-26-27-24(29)32-23)25-22(28)17-6-3-2-4-7-17/h2-15H,1H3,(H,27,29)
InChIKeyFYTDJHNDUCVUGB-UHFFFAOYSA-N
MW458.50 g/mol
LogP3.95
Rot. Bonds5

About 5-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-phenylimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one

5-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-phenylimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 59240040) has the molecular formula C24H18N4O4S and a molecular weight of 458.50 g/mol. Its IUPAC name is 5-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-phenylimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-phenylimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one
PubChem CID59240040
Molecular FormulaC24H18N4O4S
Molecular Weight458.50 g/mol
Exact Mass458.10
IUPAC Name5-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-phenylimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one
SMILESCS(=O)(=O)c1cccc(-c2ccc(-n3cc(-c4n[nH]c(=O)o4)nc3-c3ccccc3)cc2)c1
InChIInChI=1S/C24H18N4O4S/c1-33(30,31)20-9-5-8-18(14-20)16-10-12-19(13-11-16)28-15-21(23-26-27-24(29)32-23)25-22(28)17-6-3-2-4-7-17/h2-15H,1H3,(H,27,29)
InChIKeyFYTDJHNDUCVUGB-UHFFFAOYSA-N
XLogP3.95
TPSA110.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 44176498
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CID 59251634
CID 67338153
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CID 136079675
CID 136079675
CID 143695348
CID 143695348
CID 158214927
CID 158214927
CID 162556163
CID 162556163
CID 15947284
CID 15947284
CID 15947285
CID 15947285
CID 59240001
CID 59240001
CID 59240126
CID 59240126

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-phenylimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-phenylimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one (CID 59240040) is 5-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-phenylimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-phenylimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-phenylimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one is CS(=O)(=O)c1cccc(-c2ccc(-n3cc(-c4n[nH]c(=O)o4)nc3-c3ccccc3)cc2)c1.
What is the InChIKey of 5-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-phenylimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is FYTDJHNDUCVUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O4S/c1-33(30,31)20-9-5-8-18(14-20)16-10-12-19(13-11-16)28-15-21(23-26-27-24(29)32-23)25-22(28)17-6-3-2-4-7-17/h2-15H,1H3,(H,27,29).
What are the key properties of 5-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-phenylimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one?
5-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-phenylimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 458.50 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-phenylimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 59240040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).