N-(2,4-dimethoxyphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]benzamide

C27H26N2O4S — CID 46277670

IUPACN-(2,4-dimethoxyphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3nc(CSc4ccc(C)cc4)c(C)o3)cc2)c(OC)c1
InChIInChI=1S/C27H26N2O4S/c1-17-5-12-22(13-6-17)34-16-24-18(2)33-27(29-24)20-9-7-19(8-10-20)26(30)28-23-14-11-21(31-3)15-25(23)32-4/h5-15H,16H2,1-4H3,(H,28,30)
InChIKeyQYWVLQGIPIMYAA-UHFFFAOYSA-N
MW474.58 g/mol
LogP6.52
Rot. Bonds8

About N-(2,4-dimethoxyphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]benzamide

N-(2,4-dimethoxyphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]benzamide (PubChem CID 46277670) has the molecular formula C27H26N2O4S and a molecular weight of 474.58 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]benzamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]benzamide
PubChem CID46277670
Molecular FormulaC27H26N2O4S
Molecular Weight474.58 g/mol
Exact Mass474.16
IUPAC NameN-(2,4-dimethoxyphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3nc(CSc4ccc(C)cc4)c(C)o3)cc2)c(OC)c1
InChIInChI=1S/C27H26N2O4S/c1-17-5-12-22(13-6-17)34-16-24-18(2)33-27(29-24)20-9-7-19(8-10-20)26(30)28-23-14-11-21(31-3)15-25(23)32-4/h5-15H,16H2,1-4H3,(H,28,30)
InChIKeyQYWVLQGIPIMYAA-UHFFFAOYSA-N
XLogP6.52
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.58
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,4-dimethoxyphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-dimethoxyphenyl)-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide
CID 45106624
N-[(3-methoxyphenyl)methyl]-4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]benzamide
CID 20916738
N-(2,4-dimethoxyphenyl)-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110422962
N-(4-ethoxyphenyl)-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide
CID 46277718
N-(2-methoxy-5-methylphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide
CID 46277759
N-(4-methoxyphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide
CID 46277742
4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(2-methoxy-5-methylphenyl)benzamide
CID 46277792
N-(2,4-dimethoxyphenyl)-4-phenylbenzamide
CID 602380
N-[2,5-dimethoxy-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]phenyl]benzamide
CID 16614507
methyl 2-[[4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzoyl]amino]benzoate
CID 46277609
4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 20916740
N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 30000054

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]benzamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]benzamide (CID 46277670) is N-(2,4-dimethoxyphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]benzamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]benzamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]benzamide is COc1ccc(NC(=O)c2ccc(-c3nc(CSc4ccc(C)cc4)c(C)o3)cc2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]benzamide?
The InChIKey is QYWVLQGIPIMYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4S/c1-17-5-12-22(13-6-17)34-16-24-18(2)33-27(29-24)20-9-7-19(8-10-20)26(30)28-23-14-11-21(31-3)15-25(23)32-4/h5-15H,16H2,1-4H3,(H,28,30).
What are the key properties of N-(2,4-dimethoxyphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]benzamide?
N-(2,4-dimethoxyphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]benzamide has a molecular weight of 474.58 g/mol, XLogP of 6.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 46277670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).