5-methyl-2-(4-methylphenyl)-4-[(5-methylthiophen-3-yl)methylsulfanylmethyl]-1,3-oxazole

C18H19NOS2 — CID 20913911

IUPAC5-methyl-2-(4-methylphenyl)-4-[(5-methylthiophen-3-yl)methylsulfanylmethyl]-1,3-oxazole
SMILESCc1ccc(-c2nc(CSCc3csc(C)c3)c(C)o2)cc1
InChIInChI=1S/C18H19NOS2/c1-12-4-6-16(7-5-12)18-19-17(14(3)20-18)11-21-9-15-8-13(2)22-10-15/h4-8,10H,9,11H2,1-3H3
InChIKeyNOHFKTPRALMIMD-UHFFFAOYSA-N
MW329.49 g/mol
LogP5.76
Rot. Bonds5

About 5-methyl-2-(4-methylphenyl)-4-[(5-methylthiophen-3-yl)methylsulfanylmethyl]-1,3-oxazole

5-methyl-2-(4-methylphenyl)-4-[(5-methylthiophen-3-yl)methylsulfanylmethyl]-1,3-oxazole (PubChem CID 20913911) has the molecular formula C18H19NOS2 and a molecular weight of 329.49 g/mol. Its IUPAC name is 5-methyl-2-(4-methylphenyl)-4-[(5-methylthiophen-3-yl)methylsulfanylmethyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-(4-methylphenyl)-4-[(5-methylthiophen-3-yl)methylsulfanylmethyl]-1,3-oxazole
PubChem CID20913911
Molecular FormulaC18H19NOS2
Molecular Weight329.49 g/mol
Exact Mass329.09
IUPAC Name5-methyl-2-(4-methylphenyl)-4-[(5-methylthiophen-3-yl)methylsulfanylmethyl]-1,3-oxazole
SMILESCc1ccc(-c2nc(CSCc3csc(C)c3)c(C)o2)cc1
InChIInChI=1S/C18H19NOS2/c1-12-4-6-16(7-5-12)18-19-17(14(3)20-18)11-21-9-15-8-13(2)22-10-15/h4-8,10H,9,11H2,1-3H3
InChIKeyNOHFKTPRALMIMD-UHFFFAOYSA-N
XLogP5.76
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.49
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-methyl-2-(4-methylphenyl)-4-[(5-methylthiophen-3-yl)methylsulfanylmethyl]-1,3-oxazole 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

[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanamine
CID 46344053
4-[(4,5-dimethylthiophen-3-yl)methylsulfanylmethyl]-5-methyl-2-(3-methylphenyl)-1,3-oxazole
CID 20913913
1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]pentan-2-one
CID 157392468
ethane;4-ethyl-5-methyl-2-(4-methylphenyl)-1,3-oxazole
CID 142936013
4-methyl-1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]hexan-2-one
CID 149406146
2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]acetyl iodide
CID 121359893
2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide
CID 3240583
2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 6619419
2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-[2-(4-methylphenyl)ethyl]acetamide
CID 20860061
N-(3-ethoxypropyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide
CID 20860328
1-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-5-(4-methylphenyl)pentan-2-one
CID 149258280
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanamine
CID 15616431

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methylphenyl)-4-[(5-methylthiophen-3-yl)methylsulfanylmethyl]-1,3-oxazole?
The IUPAC name of 5-methyl-2-(4-methylphenyl)-4-[(5-methylthiophen-3-yl)methylsulfanylmethyl]-1,3-oxazole (CID 20913911) is 5-methyl-2-(4-methylphenyl)-4-[(5-methylthiophen-3-yl)methylsulfanylmethyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-(4-methylphenyl)-4-[(5-methylthiophen-3-yl)methylsulfanylmethyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-2-(4-methylphenyl)-4-[(5-methylthiophen-3-yl)methylsulfanylmethyl]-1,3-oxazole is Cc1ccc(-c2nc(CSCc3csc(C)c3)c(C)o2)cc1.
What is the InChIKey of 5-methyl-2-(4-methylphenyl)-4-[(5-methylthiophen-3-yl)methylsulfanylmethyl]-1,3-oxazole?
The InChIKey is NOHFKTPRALMIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS2/c1-12-4-6-16(7-5-12)18-19-17(14(3)20-18)11-21-9-15-8-13(2)22-10-15/h4-8,10H,9,11H2,1-3H3.
What are the key properties of 5-methyl-2-(4-methylphenyl)-4-[(5-methylthiophen-3-yl)methylsulfanylmethyl]-1,3-oxazole?
5-methyl-2-(4-methylphenyl)-4-[(5-methylthiophen-3-yl)methylsulfanylmethyl]-1,3-oxazole has a molecular weight of 329.49 g/mol, XLogP of 5.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methylphenyl)-4-[(5-methylthiophen-3-yl)methylsulfanylmethyl]-1,3-oxazole is sourced from PubChem (CID 20913911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).