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

C12H12N2O3 — CID 14054372

IUPAC(5-phenyl-1,2-oxazol-3-yl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cc(-c2ccccc2)on1
InChIInChI=1S/C12H12N2O3/c1-14(2)12(15)16-11-8-10(17-13-11)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyZDTNKJUQLFOTLI-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.40
Rot. Bonds2

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

(5-phenyl-1,2-oxazol-3-yl) N,N-dimethylcarbamate (PubChem CID 14054372) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is (5-phenyl-1,2-oxazol-3-yl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(5-phenyl-1,2-oxazol-3-yl) N,N-dimethylcarbamate
PubChem CID14054372
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name(5-phenyl-1,2-oxazol-3-yl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cc(-c2ccccc2)on1
InChIInChI=1S/C12H12N2O3/c1-14(2)12(15)16-11-8-10(17-13-11)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyZDTNKJUQLFOTLI-UHFFFAOYSA-N
XLogP2.40
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,2-oxazol-3-yl) N,N-dimethylcarbamate?
The IUPAC name of (5-phenyl-1,2-oxazol-3-yl) N,N-dimethylcarbamate (CID 14054372) is (5-phenyl-1,2-oxazol-3-yl) N,N-dimethylcarbamate.
What is the SMILES notation for (5-phenyl-1,2-oxazol-3-yl) N,N-dimethylcarbamate?
The canonical SMILES for (5-phenyl-1,2-oxazol-3-yl) N,N-dimethylcarbamate is CN(C)C(=O)Oc1cc(-c2ccccc2)on1.
What is the InChIKey of (5-phenyl-1,2-oxazol-3-yl) N,N-dimethylcarbamate?
The InChIKey is ZDTNKJUQLFOTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-14(2)12(15)16-11-8-10(17-13-11)9-6-4-3-5-7-9/h3-8H,1-2H3.
What are the key properties of (5-phenyl-1,2-oxazol-3-yl) N,N-dimethylcarbamate?
(5-phenyl-1,2-oxazol-3-yl) N,N-dimethylcarbamate has a molecular weight of 232.24 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,2-oxazol-3-yl) N,N-dimethylcarbamate is sourced from PubChem (CID 14054372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).