4-bromo-N-[[5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide

C23H18BrN3O2S — CID 142315906

IUPAC4-bromo-N-[[5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESO=C(NCc1nnc(SCc2ccccc2-c2ccccc2)o1)c1ccc(Br)cc1
InChIInChI=1S/C23H18BrN3O2S/c24-19-12-10-17(11-13-19)22(28)25-14-21-26-27-23(29-21)30-15-18-8-4-5-9-20(18)16-6-2-1-3-7-16/h1-13H,14-15H2,(H,25,28)
InChIKeyRYTNRXKWPZKDLB-UHFFFAOYSA-N
MW480.39 g/mol
LogP5.72
Rot. Bonds7

About 4-bromo-N-[[5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide

4-bromo-N-[[5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide (PubChem CID 142315906) has the molecular formula C23H18BrN3O2S and a molecular weight of 480.39 g/mol. Its IUPAC name is 4-bromo-N-[[5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[[5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide
PubChem CID142315906
Molecular FormulaC23H18BrN3O2S
Molecular Weight480.39 g/mol
Exact Mass479.03
IUPAC Name4-bromo-N-[[5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESO=C(NCc1nnc(SCc2ccccc2-c2ccccc2)o1)c1ccc(Br)cc1
InChIInChI=1S/C23H18BrN3O2S/c24-19-12-10-17(11-13-19)22(28)25-14-21-26-27-23(29-21)30-15-18-8-4-5-9-20(18)16-6-2-1-3-7-16/h1-13H,14-15H2,(H,25,28)
InChIKeyRYTNRXKWPZKDLB-UHFFFAOYSA-N
XLogP5.72
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.39
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-bromo-N-[[5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide with MolForge

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Related Compounds

N-(4-bromophenyl)-5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-amine
CID 142316170
N-[[2-(4-bromophenyl)phenyl]methyl]benzamide
CID 134869465
4-fluoro-N-[(5-phenacylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 7205279
4-fluoro-N-[[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7502338
N-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7502166
N-[[5-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7502104
4-fluoro-N-[[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7502346
4-bromo-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319786
N-[[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7205201
N-[[5-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7205193
N-[(2-phenylphenyl)methyl]pyridine-4-carboxamide
CID 23497805
2-[(3-methylphenyl)methyl]-5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 146324623

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The IUPAC name of 4-bromo-N-[[5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide (CID 142315906) is 4-bromo-N-[[5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide.
What is the SMILES notation for 4-bromo-N-[[5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The canonical SMILES for 4-bromo-N-[[5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide is O=C(NCc1nnc(SCc2ccccc2-c2ccccc2)o1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[[5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The InChIKey is RYTNRXKWPZKDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrN3O2S/c24-19-12-10-17(11-13-19)22(28)25-14-21-26-27-23(29-21)30-15-18-8-4-5-9-20(18)16-6-2-1-3-7-16/h1-13H,14-15H2,(H,25,28).
What are the key properties of 4-bromo-N-[[5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide?
4-bromo-N-[[5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide has a molecular weight of 480.39 g/mol, XLogP of 5.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[5-[(2-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 142315906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).