[5-(methylsulfanylmethyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate

C8H12N2O3S — CID 19871333

IUPAC[5-(methylsulfanylmethyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate
SMILESCSCc1cc(OC(=O)N(C)C)no1
InChIInChI=1S/C8H12N2O3S/c1-10(2)8(11)12-7-4-6(5-14-3)13-9-7/h4H,5H2,1-3H3
InChIKeyKJJSLZLLQWQGEB-UHFFFAOYSA-N
MW216.26 g/mol
LogP1.60
Rot. Bonds3

About [5-(methylsulfanylmethyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate

[5-(methylsulfanylmethyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate (PubChem CID 19871333) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is [5-(methylsulfanylmethyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[5-(methylsulfanylmethyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate
PubChem CID19871333
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Name[5-(methylsulfanylmethyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate
SMILESCSCc1cc(OC(=O)N(C)C)no1
InChIInChI=1S/C8H12N2O3S/c1-10(2)8(11)12-7-4-6(5-14-3)13-9-7/h4H,5H2,1-3H3
InChIKeyKJJSLZLLQWQGEB-UHFFFAOYSA-N
XLogP1.60
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-(methylsulfanylmethyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(methylsulfanylmethyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate?
The IUPAC name of [5-(methylsulfanylmethyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate (CID 19871333) is [5-(methylsulfanylmethyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [5-(methylsulfanylmethyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate?
The canonical SMILES for [5-(methylsulfanylmethyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate is CSCc1cc(OC(=O)N(C)C)no1.
What is the InChIKey of [5-(methylsulfanylmethyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate?
The InChIKey is KJJSLZLLQWQGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c1-10(2)8(11)12-7-4-6(5-14-3)13-9-7/h4H,5H2,1-3H3.
What are the key properties of [5-(methylsulfanylmethyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate?
[5-(methylsulfanylmethyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate has a molecular weight of 216.26 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methylsulfanylmethyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 19871333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).