3-(3,4-dimethylphenyl)sulfanyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide

C20H20N2O2S — CID 78890099

IUPAC3-(3,4-dimethylphenyl)sulfanyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
SMILESCc1ccc(SCCC(=O)Nc2ccc(-c3cnco3)cc2)cc1C
InChIInChI=1S/C20H20N2O2S/c1-14-3-8-18(11-15(14)2)25-10-9-20(23)22-17-6-4-16(5-7-17)19-12-21-13-24-19/h3-8,11-13H,9-10H2,1-2H3,(H,22,23)
InChIKeyVLVRAOWYTXXMPB-UHFFFAOYSA-N
MW352.46 g/mol
LogP5.08
Rot. Bonds6

About 3-(3,4-dimethylphenyl)sulfanyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide

3-(3,4-dimethylphenyl)sulfanyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide (PubChem CID 78890099) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)sulfanyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)sulfanyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
PubChem CID78890099
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name3-(3,4-dimethylphenyl)sulfanyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
SMILESCc1ccc(SCCC(=O)Nc2ccc(-c3cnco3)cc2)cc1C
InChIInChI=1S/C20H20N2O2S/c1-14-3-8-18(11-15(14)2)25-10-9-20(23)22-17-6-4-16(5-7-17)19-12-21-13-24-19/h3-8,11-13H,9-10H2,1-2H3,(H,22,23)
InChIKeyVLVRAOWYTXXMPB-UHFFFAOYSA-N
XLogP5.08
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.46
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3,4-dimethylphenyl)sulfanyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide 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

3-ethylsulfanyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
CID 87046910
4-[4-(1,3-oxazol-5-yl)anilino]-4-oxobutanoic acid
CID 54866818
N-(6-amino-3-pyridinyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride
CID 119516033
4-chloro-N-[4-(1,3-oxazol-5-yl)phenyl]butanamide
CID 63307748
2-(2-methylphenyl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 87008248
3-(3,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 8638441
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 78890275
2-methoxy-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 60812605
6-amino-N-[4-(1,3-oxazol-5-yl)phenyl]hexanamide
CID 60927435
2-(cyclopropylamino)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 54862582
3-(3,4-dimethylphenyl)sulfanyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
CID 9145471
2,2-dimethyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
CID 2806322

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)sulfanyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide?
The IUPAC name of 3-(3,4-dimethylphenyl)sulfanyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide (CID 78890099) is 3-(3,4-dimethylphenyl)sulfanyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethylphenyl)sulfanyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide?
The canonical SMILES for 3-(3,4-dimethylphenyl)sulfanyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide is Cc1ccc(SCCC(=O)Nc2ccc(-c3cnco3)cc2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)sulfanyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide?
The InChIKey is VLVRAOWYTXXMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-14-3-8-18(11-15(14)2)25-10-9-20(23)22-17-6-4-16(5-7-17)19-12-21-13-24-19/h3-8,11-13H,9-10H2,1-2H3,(H,22,23).
What are the key properties of 3-(3,4-dimethylphenyl)sulfanyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide?
3-(3,4-dimethylphenyl)sulfanyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide has a molecular weight of 352.46 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)sulfanyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide is sourced from PubChem (CID 78890099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).