N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfanylpropanamide

C14H16N2O2S — CID 7254602

IUPACN-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SCCC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C14H16N2O2S/c1-10-3-5-12(6-4-10)19-8-7-14(17)15-13-9-11(2)18-16-13/h3-6,9H,7-8H2,1-2H3,(H,15,16,17)
InChIKeyHOSWUUUSFVUOQS-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.41
Rot. Bonds5

About N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfanylpropanamide

N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfanylpropanamide (PubChem CID 7254602) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfanylpropanamide
PubChem CID7254602
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SCCC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C14H16N2O2S/c1-10-3-5-12(6-4-10)19-8-7-14(17)15-13-9-11(2)18-16-13/h3-6,9H,7-8H2,1-2H3,(H,15,16,17)
InChIKeyHOSWUUUSFVUOQS-UHFFFAOYSA-N
XLogP3.41
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfanylpropanamide 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-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide
CID 22474540
2-(4-fluorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2106167
N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 2498562
5-(Tert-butyl)-3-[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]isoxazole
CID 2813928
N-(5-Methyl-isoxazol-3-yl)-2-(toluene-4-sulfonyl)-acetamide
CID 2969761
2-(6-Amino-4-oxo-1-m-tolyl-1,4-dihydro-pyrimidin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 651484
2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydro-2-pyrimidinyl]thio}-N-(5-methyl-3-isoxazolyl)butanamide
CID 2941476
2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 135420430
2-[(4-chlorophenyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 676219
1H-2-Benzothiopyran-3-carboxamide, N-(5-methyl-3-isoxazolyl)-1-oxo-
CID 699992
2-methyl-N-(5-methyl-3-isoxazolyl)-3-phenylacrylamide
CID 890161
2-(ethylthio)-N-(5-methyl-3-isoxazolyl)benzamide
CID 970322

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfanylpropanamide (CID 7254602) is N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfanylpropanamide is Cc1ccc(SCCC(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is HOSWUUUSFVUOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-10-3-5-12(6-4-10)19-8-7-14(17)15-13-9-11(2)18-16-13/h3-6,9H,7-8H2,1-2H3,(H,15,16,17).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfanylpropanamide?
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 276.36 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 7254602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).