2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-[(4-methylphenyl)methyl]acetamide

C22H24N2O3S — CID 5309019

IUPAC2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CS(=O)Cc2nc(-c3ccccc3C)oc2C)cc1
InChIInChI=1S/C22H24N2O3S/c1-15-8-10-18(11-9-15)12-23-21(25)14-28(26)13-20-17(3)27-22(24-20)19-7-5-4-6-16(19)2/h4-11H,12-14H2,1-3H3,(H,23,25)
InChIKeyNNEUPUVAEKMORR-UHFFFAOYSA-N
MW396.51 g/mol
LogP3.83
Rot. Bonds7

About 2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-[(4-methylphenyl)methyl]acetamide

2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 5309019) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is 2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID5309019
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CS(=O)Cc2nc(-c3ccccc3C)oc2C)cc1
InChIInChI=1S/C22H24N2O3S/c1-15-8-10-18(11-9-15)12-23-21(25)14-28(26)13-20-17(3)27-22(24-20)19-7-5-4-6-16(19)2/h4-11H,12-14H2,1-3H3,(H,23,25)
InChIKeyNNEUPUVAEKMORR-UHFFFAOYSA-N
XLogP3.83
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Darglitazone
CID 60870
2-(((2-(4-Ethylphenyl)-5-methyloxazol-4-yl)methyl)thio)-N-phenethylacetamide
CID 6622273
N-cyclopropyl-2-[[2-(4-ethoxyphenyl)-5-methyl-4-oxazolyl]methylthio]acetamide
CID 4174238
Ethyl 4-{[({[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}thio)acetyl]amino}piperidine-1-carboxylate
CID 3237206
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-({[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfonyl)acetamide
CID 3243297
2-[[2-(3-methoxyphenyl)-5-methyl-oxazol-4-yl]methylsulfonyl]-N-tetralin-1-yl-acetamide
CID 9550784
2-{[2-(4-Methoxyphenyl)-5-methyl-1,3-oxazol-4-YL]methanesulfinyl}-N-[(2-methoxyphenyl)methyl]acetamide
CID 16007888
2-{[2-(4-Methoxyphenyl)-5-methyl-1,3-oxazol-4-YL]methanesulfonyl}-N-[2-(4-methylphenyl)ethyl]acetamide
CID 16008049
1-[4-(2,3-Dimethylphenyl)piperazin-1-YL]-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-YL]methanesulfonyl}ethan-1-one
CID 16008047
({[2-(4-Ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfinyl)acetic acid
CID 15997868
2-[(4,5-Diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 776898
4-[({[5-Methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}thio)acetyl]morpholine
CID 3235915

Frequently Asked Questions

What is the IUPAC name of 2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-[(4-methylphenyl)methyl]acetamide (CID 5309019) is 2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CS(=O)Cc2nc(-c3ccccc3C)oc2C)cc1.
What is the InChIKey of 2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is NNEUPUVAEKMORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-15-8-10-18(11-9-15)12-23-21(25)14-28(26)13-20-17(3)27-22(24-20)19-7-5-4-6-16(19)2/h4-11H,12-14H2,1-3H3,(H,23,25).
What are the key properties of 2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-[(4-methylphenyl)methyl]acetamide?
2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 396.51 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 5309019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).