N-cyclohexyl-4-methyl-5-(4-methylphenyl)-2-oxo-1,3-oxazolidine-3-carbothioamide

C18H24N2O2S — CID 12834260

IUPACN-cyclohexyl-4-methyl-5-(4-methylphenyl)-2-oxo-1,3-oxazolidine-3-carbothioamide
SMILESCc1ccc(C2OC(=O)N(C(=S)NC3CCCCC3)C2C)cc1
InChIInChI=1S/C18H24N2O2S/c1-12-8-10-14(11-9-12)16-13(2)20(18(21)22-16)17(23)19-15-6-4-3-5-7-15/h8-11,13,15-16H,3-7H2,1-2H3,(H,19,23)
InChIKeyXMBUFEKHWLQRNR-UHFFFAOYSA-N
MW332.47 g/mol
LogP4.08
Rot. Bonds2

About N-cyclohexyl-4-methyl-5-(4-methylphenyl)-2-oxo-1,3-oxazolidine-3-carbothioamide

N-cyclohexyl-4-methyl-5-(4-methylphenyl)-2-oxo-1,3-oxazolidine-3-carbothioamide (PubChem CID 12834260) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-cyclohexyl-4-methyl-5-(4-methylphenyl)-2-oxo-1,3-oxazolidine-3-carbothioamide.

Molecular Properties

Compound NameN-cyclohexyl-4-methyl-5-(4-methylphenyl)-2-oxo-1,3-oxazolidine-3-carbothioamide
PubChem CID12834260
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN-cyclohexyl-4-methyl-5-(4-methylphenyl)-2-oxo-1,3-oxazolidine-3-carbothioamide
SMILESCc1ccc(C2OC(=O)N(C(=S)NC3CCCCC3)C2C)cc1
InChIInChI=1S/C18H24N2O2S/c1-12-8-10-14(11-9-12)16-13(2)20(18(21)22-16)17(23)19-15-6-4-3-5-7-15/h8-11,13,15-16H,3-7H2,1-2H3,(H,19,23)
InChIKeyXMBUFEKHWLQRNR-UHFFFAOYSA-N
XLogP4.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-methyl-5-(4-methylphenyl)-2-oxo-1,3-oxazolidine-3-carbothioamide?
The IUPAC name of N-cyclohexyl-4-methyl-5-(4-methylphenyl)-2-oxo-1,3-oxazolidine-3-carbothioamide (CID 12834260) is N-cyclohexyl-4-methyl-5-(4-methylphenyl)-2-oxo-1,3-oxazolidine-3-carbothioamide.
What is the SMILES notation for N-cyclohexyl-4-methyl-5-(4-methylphenyl)-2-oxo-1,3-oxazolidine-3-carbothioamide?
The canonical SMILES for N-cyclohexyl-4-methyl-5-(4-methylphenyl)-2-oxo-1,3-oxazolidine-3-carbothioamide is Cc1ccc(C2OC(=O)N(C(=S)NC3CCCCC3)C2C)cc1.
What is the InChIKey of N-cyclohexyl-4-methyl-5-(4-methylphenyl)-2-oxo-1,3-oxazolidine-3-carbothioamide?
The InChIKey is XMBUFEKHWLQRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-12-8-10-14(11-9-12)16-13(2)20(18(21)22-16)17(23)19-15-6-4-3-5-7-15/h8-11,13,15-16H,3-7H2,1-2H3,(H,19,23).
What are the key properties of N-cyclohexyl-4-methyl-5-(4-methylphenyl)-2-oxo-1,3-oxazolidine-3-carbothioamide?
N-cyclohexyl-4-methyl-5-(4-methylphenyl)-2-oxo-1,3-oxazolidine-3-carbothioamide has a molecular weight of 332.47 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-methyl-5-(4-methylphenyl)-2-oxo-1,3-oxazolidine-3-carbothioamide is sourced from PubChem (CID 12834260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).