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

C20H20N2O2S — CID 20963749

IUPAC5-(3-methylphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCSc1ccc(CCNC(=O)c2ncoc2-c2cccc(C)c2)cc1
InChIInChI=1S/C20H20N2O2S/c1-14-4-3-5-16(12-14)19-18(22-13-24-19)20(23)21-11-10-15-6-8-17(25-2)9-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,21,23)
InChIKeyOSORGRAAMBSRKO-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.34
Rot. Bonds6

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

5-(3-methylphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 20963749) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 5-(3-methylphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-methylphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]-1,3-oxazole-4-carboxamide
PubChem CID20963749
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name5-(3-methylphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCSc1ccc(CCNC(=O)c2ncoc2-c2cccc(C)c2)cc1
InChIInChI=1S/C20H20N2O2S/c1-14-4-3-5-16(12-14)19-18(22-13-24-19)20(23)21-11-10-15-6-8-17(25-2)9-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,21,23)
InChIKeyOSORGRAAMBSRKO-UHFFFAOYSA-N
XLogP4.34
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 20963803
N-[2-(4-methylsulfanylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 46347121
N-(1,3-benzodioxol-5-ylmethyl)-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 3232242
5-(3-methylphenyl)-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 20963716
5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 20963781
2,7-dimethyl-3-(3-methylphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 20943412
5-(3-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide
CID 3232259
2-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid
CID 67884067
N-[2-(furan-2-yl)ethyl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 46958823
6-(3-methylphenyl)-N-[(4-methylsulfanylphenyl)methyl]pyridine-3-carboxamide
CID 53111039
N-[2-(cyclohexen-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 110689201
N-[2-(methylamino)ethyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide;dihydrochloride
CID 119502119

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(3-methylphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]-1,3-oxazole-4-carboxamide (CID 20963749) is 5-(3-methylphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(3-methylphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(3-methylphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]-1,3-oxazole-4-carboxamide is CSc1ccc(CCNC(=O)c2ncoc2-c2cccc(C)c2)cc1.
What is the InChIKey of 5-(3-methylphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is OSORGRAAMBSRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-14-4-3-5-16(12-14)19-18(22-13-24-19)20(23)21-11-10-15-6-8-17(25-2)9-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,21,23).
What are the key properties of 5-(3-methylphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]-1,3-oxazole-4-carboxamide?
5-(3-methylphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 20963749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).