N-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide

C23H16Cl2N2O2S — CID 51064723

IUPACN-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)c(Sc3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C23H16Cl2N2O2S/c1-14-2-4-15(5-3-14)22-27-20(21(28)26-18-10-6-16(24)7-11-18)23(29-22)30-19-12-8-17(25)9-13-19/h2-13H,1H3,(H,26,28)
InChIKeyOQVWQDMEEJGSQT-UHFFFAOYSA-N
MW455.37 g/mol
LogP7.36
Rot. Bonds5

About N-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide

N-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 51064723) has the molecular formula C23H16Cl2N2O2S and a molecular weight of 455.37 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID51064723
Molecular FormulaC23H16Cl2N2O2S
Molecular Weight455.37 g/mol
Exact Mass454.03
IUPAC NameN-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)c(Sc3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C23H16Cl2N2O2S/c1-14-2-4-15(5-3-14)22-27-20(21(28)26-18-10-6-16(24)7-11-18)23(29-22)30-19-12-8-17(25)9-13-19/h2-13H,1H3,(H,26,28)
InChIKeyOQVWQDMEEJGSQT-UHFFFAOYSA-N
XLogP7.36
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.37
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]benzamide
CID 46277666
2-(4-chlorophenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole-4-carbonitrile
CID 118984597
methyl 5-[2-[5-(4-methylphenyl)sulfanyl-2-phenyl-1,3-oxazole-4-carbonyl]hydrazinyl]-2-phenyl-1,3-oxazole-4-carboxylate
CID 56729321
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 1124859
5-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-oxazole
CID 12995330
4-chloro-N-[4-(4-chlorophenyl)sulfanylphenyl]benzamide
CID 12734406
2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 4961939
4-chloro-N-[4-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenyl]benzamide
CID 60582852
2-(4-aminophenyl)-N-(4-chlorophenyl)-1,3-oxazole-4-carboxamide
CID 3857565
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide
CID 7254564
1-(4-chlorophenyl)-N-(4-methylphenyl)-4-oxopyridazine-3-carboxamide
CID 7709813
3-(4-chlorophenyl)-N-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 20912086

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide (CID 51064723) is N-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide is Cc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)c(Sc3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is OQVWQDMEEJGSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N2O2S/c1-14-2-4-15(5-3-14)22-27-20(21(28)26-18-10-6-16(24)7-11-18)23(29-22)30-19-12-8-17(25)9-13-19/h2-13H,1H3,(H,26,28).
What are the key properties of N-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
N-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 455.37 g/mol, XLogP of 7.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 51064723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).