(5-phenyl-1,3-oxazol-2-yl)methyl N,N-diethylcarbamodithioate

C15H18N2OS2 — CID 8894363

IUPAC(5-phenyl-1,3-oxazol-2-yl)methyl N,N-diethylcarbamodithioate
SMILESCCN(CC)C(=S)SCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C15H18N2OS2/c1-3-17(4-2)15(19)20-11-14-16-10-13(18-14)12-8-6-5-7-9-12/h5-10H,3-4,11H2,1-2H3
InChIKeyUGYOXUPYJYNEJU-UHFFFAOYSA-N
MW306.46 g/mol
LogP4.20
Rot. Bonds5

About (5-phenyl-1,3-oxazol-2-yl)methyl N,N-diethylcarbamodithioate

(5-phenyl-1,3-oxazol-2-yl)methyl N,N-diethylcarbamodithioate (PubChem CID 8894363) has the molecular formula C15H18N2OS2 and a molecular weight of 306.46 g/mol. Its IUPAC name is (5-phenyl-1,3-oxazol-2-yl)methyl N,N-diethylcarbamodithioate.

Molecular Properties

Compound Name(5-phenyl-1,3-oxazol-2-yl)methyl N,N-diethylcarbamodithioate
PubChem CID8894363
Molecular FormulaC15H18N2OS2
Molecular Weight306.46 g/mol
Exact Mass306.09
IUPAC Name(5-phenyl-1,3-oxazol-2-yl)methyl N,N-diethylcarbamodithioate
SMILESCCN(CC)C(=S)SCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C15H18N2OS2/c1-3-17(4-2)15(19)20-11-14-16-10-13(18-14)12-8-6-5-7-9-12/h5-10H,3-4,11H2,1-2H3
InChIKeyUGYOXUPYJYNEJU-UHFFFAOYSA-N
XLogP4.20
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (5-phenyl-1,3-oxazol-2-yl)methyl N,N-diethylcarbamodithioate?
The IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl N,N-diethylcarbamodithioate (CID 8894363) is (5-phenyl-1,3-oxazol-2-yl)methyl N,N-diethylcarbamodithioate.
What is the SMILES notation for (5-phenyl-1,3-oxazol-2-yl)methyl N,N-diethylcarbamodithioate?
The canonical SMILES for (5-phenyl-1,3-oxazol-2-yl)methyl N,N-diethylcarbamodithioate is CCN(CC)C(=S)SCc1ncc(-c2ccccc2)o1.
What is the InChIKey of (5-phenyl-1,3-oxazol-2-yl)methyl N,N-diethylcarbamodithioate?
The InChIKey is UGYOXUPYJYNEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS2/c1-3-17(4-2)15(19)20-11-14-16-10-13(18-14)12-8-6-5-7-9-12/h5-10H,3-4,11H2,1-2H3.
What are the key properties of (5-phenyl-1,3-oxazol-2-yl)methyl N,N-diethylcarbamodithioate?
(5-phenyl-1,3-oxazol-2-yl)methyl N,N-diethylcarbamodithioate has a molecular weight of 306.46 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3-oxazol-2-yl)methyl N,N-diethylcarbamodithioate is sourced from PubChem (CID 8894363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).