(4,5-dimethyl-1,2-oxazol-3-yl) N-methylcarbamate

C7H10N2O3 — CID 122163638

IUPAC(4,5-dimethyl-1,2-oxazol-3-yl) N-methylcarbamate
SMILESCNC(=O)Oc1noc(C)c1C
InChIInChI=1S/C7H10N2O3/c1-4-5(2)12-9-6(4)11-7(10)8-3/h1-3H3,(H,8,10)
InChIKeyQXLHLIHPXLVPDA-UHFFFAOYSA-N
MW170.17 g/mol
LogP1.01
Rot. Bonds1

About (4,5-dimethyl-1,2-oxazol-3-yl) N-methylcarbamate

(4,5-dimethyl-1,2-oxazol-3-yl) N-methylcarbamate (PubChem CID 122163638) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is (4,5-dimethyl-1,2-oxazol-3-yl) N-methylcarbamate.

Molecular Properties

Compound Name(4,5-dimethyl-1,2-oxazol-3-yl) N-methylcarbamate
PubChem CID122163638
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name(4,5-dimethyl-1,2-oxazol-3-yl) N-methylcarbamate
SMILESCNC(=O)Oc1noc(C)c1C
InChIInChI=1S/C7H10N2O3/c1-4-5(2)12-9-6(4)11-7(10)8-3/h1-3H3,(H,8,10)
InChIKeyQXLHLIHPXLVPDA-UHFFFAOYSA-N
XLogP1.01
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4,5-dimethyl-1,2-oxazol-3-yl) N-methylcarbamate 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 (4,5-dimethyl-1,2-oxazol-3-yl) N-methylcarbamate?
The IUPAC name of (4,5-dimethyl-1,2-oxazol-3-yl) N-methylcarbamate (CID 122163638) is (4,5-dimethyl-1,2-oxazol-3-yl) N-methylcarbamate.
What is the SMILES notation for (4,5-dimethyl-1,2-oxazol-3-yl) N-methylcarbamate?
The canonical SMILES for (4,5-dimethyl-1,2-oxazol-3-yl) N-methylcarbamate is CNC(=O)Oc1noc(C)c1C.
What is the InChIKey of (4,5-dimethyl-1,2-oxazol-3-yl) N-methylcarbamate?
The InChIKey is QXLHLIHPXLVPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-4-5(2)12-9-6(4)11-7(10)8-3/h1-3H3,(H,8,10).
What are the key properties of (4,5-dimethyl-1,2-oxazol-3-yl) N-methylcarbamate?
(4,5-dimethyl-1,2-oxazol-3-yl) N-methylcarbamate has a molecular weight of 170.17 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethyl-1,2-oxazol-3-yl) N-methylcarbamate is sourced from PubChem (CID 122163638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).