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

C18H16N2O2S — CID 1252354

IUPAC5-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide
SMILESCSc1ccccc1NC(=O)c1cc(-c2ccc(C)cc2)on1
InChIInChI=1S/C18H16N2O2S/c1-12-7-9-13(10-8-12)16-11-15(20-22-16)18(21)19-14-5-3-4-6-17(14)23-2/h3-11H,1-2H3,(H,19,21)
InChIKeyMPBYNWKILUZJDG-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.62
Rot. Bonds4

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

5-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 1252354) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID1252354
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name5-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide
SMILESCSc1ccccc1NC(=O)c1cc(-c2ccc(C)cc2)on1
InChIInChI=1S/C18H16N2O2S/c1-12-7-9-13(10-8-12)16-11-15(20-22-16)18(21)19-14-5-3-4-6-17(14)23-2/h3-11H,1-2H3,(H,19,21)
InChIKeyMPBYNWKILUZJDG-UHFFFAOYSA-N
XLogP4.62
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dimethylphenyl)-N-(2-ethylsulfanylphenyl)-1,2-oxazole-3-carboxamide
CID 155943086
N-[2-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 171703768
5-(3,4-dimethylphenyl)-N-(2-methylphenyl)-1,2-oxazole-3-carboxamide
CID 17011665
N-(3-methylphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 17011506
5-[4-[(2-methylphenyl)methoxy]phenyl]-N-[2-[(2-methylphenyl)methylsulfanyl]phenyl]-1,2-oxazole-3-carboxamide
CID 171703762
N-(2-chloro-4-methylphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 112807159
methyl 2-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]benzoate
CID 3571866
N-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide
CID 171703886
5-(4-methylphenyl)-N-[(2R)-2-phenylbutyl]-1,2-oxazole-3-carboxamide
CID 95738529
N-(2,3-dimethylphenyl)-5-(4-fluoro-3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 46265526
N-(5-carbamoyl-1-methylpyrazol-4-yl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 4862758
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 90562094

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide (CID 1252354) is 5-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide is CSc1ccccc1NC(=O)c1cc(-c2ccc(C)cc2)on1.
What is the InChIKey of 5-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is MPBYNWKILUZJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-12-7-9-13(10-8-12)16-11-15(20-22-16)18(21)19-14-5-3-4-6-17(14)23-2/h3-11H,1-2H3,(H,19,21).
What are the key properties of 5-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide?
5-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 1252354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).