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

C13H15NOS — CID 78820535

IUPAC3-methyl-5-[(2-methylphenyl)methylsulfanylmethyl]-1,2-oxazole
SMILESCc1cc(CSCc2ccccc2C)on1
InChIInChI=1S/C13H15NOS/c1-10-5-3-4-6-12(10)8-16-9-13-7-11(2)14-15-13/h3-7H,8-9H2,1-2H3
InChIKeyUQVCNEHCQNCPQB-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.72
Rot. Bonds4

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

3-methyl-5-[(2-methylphenyl)methylsulfanylmethyl]-1,2-oxazole (PubChem CID 78820535) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 3-methyl-5-[(2-methylphenyl)methylsulfanylmethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[(2-methylphenyl)methylsulfanylmethyl]-1,2-oxazole
PubChem CID78820535
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name3-methyl-5-[(2-methylphenyl)methylsulfanylmethyl]-1,2-oxazole
SMILESCc1cc(CSCc2ccccc2C)on1
InChIInChI=1S/C13H15NOS/c1-10-5-3-4-6-12(10)8-16-9-13-7-11(2)14-15-13/h3-7H,8-9H2,1-2H3
InChIKeyUQVCNEHCQNCPQB-UHFFFAOYSA-N
XLogP3.72
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methyl-5-[(2-methylphenyl)methylsulfanylmethyl]-1,2-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

2-[(2-methylphenyl)methylsulfanylmethyl]furan
CID 78761613
2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 71993088
2-[(2-methylphenyl)methylsulfanylmethyl]aniline
CID 62055179
3-methyl-5-(prop-2-ynylsulfanylmethyl)-1,2-oxazole
CID 130636861
3-butyl-5-[(2-methylphenyl)methylsulfanylmethyl]-1,2,4-oxadiazole
CID 78846380
3-benzyl-5-[(2-methylphenyl)methylsulfanylmethyl]-1,2,4-oxadiazole
CID 78874035
5-[(2,6-dimethylphenoxy)methyl]-3-methyl-1,2-oxazole
CID 78913723
3-methyl-5-[[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]methyl]-1,2-oxazole
CID 2192631
4-[(2-methylphenyl)methylsulfanylmethyl]phenol
CID 18959071
[4-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine
CID 55112779
5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide
CID 63580707
5-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]aniline
CID 43304322

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(2-methylphenyl)methylsulfanylmethyl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[(2-methylphenyl)methylsulfanylmethyl]-1,2-oxazole (CID 78820535) is 3-methyl-5-[(2-methylphenyl)methylsulfanylmethyl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[(2-methylphenyl)methylsulfanylmethyl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[(2-methylphenyl)methylsulfanylmethyl]-1,2-oxazole is Cc1cc(CSCc2ccccc2C)on1.
What is the InChIKey of 3-methyl-5-[(2-methylphenyl)methylsulfanylmethyl]-1,2-oxazole?
The InChIKey is UQVCNEHCQNCPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-10-5-3-4-6-12(10)8-16-9-13-7-11(2)14-15-13/h3-7H,8-9H2,1-2H3.
What are the key properties of 3-methyl-5-[(2-methylphenyl)methylsulfanylmethyl]-1,2-oxazole?
3-methyl-5-[(2-methylphenyl)methylsulfanylmethyl]-1,2-oxazole has a molecular weight of 233.34 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(2-methylphenyl)methylsulfanylmethyl]-1,2-oxazole is sourced from PubChem (CID 78820535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).