(5-phenyl-1,3,4-oxadiazol-2-yl)methyl N-methylcarbamate

C11H11N3O3 — CID 3041363

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl N-methylcarbamate
SMILESCNC(=O)OCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C11H11N3O3/c1-12-11(15)16-7-9-13-14-10(17-9)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,15)
InChIKeyCFASWYQZODKGSN-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.59
Rot. Bonds3

About (5-phenyl-1,3,4-oxadiazol-2-yl)methyl N-methylcarbamate

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl N-methylcarbamate (PubChem CID 3041363) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl N-methylcarbamate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl N-methylcarbamate
PubChem CID3041363
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl N-methylcarbamate
SMILESCNC(=O)OCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C11H11N3O3/c1-12-11(15)16-7-9-13-14-10(17-9)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,15)
InChIKeyCFASWYQZODKGSN-UHFFFAOYSA-N
XLogP1.59
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 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 (5-phenyl-1,3,4-oxadiazol-2-yl)methyl N-methylcarbamate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl N-methylcarbamate (CID 3041363) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl N-methylcarbamate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl N-methylcarbamate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl N-methylcarbamate is CNC(=O)OCc1nnc(-c2ccccc2)o1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl N-methylcarbamate?
The InChIKey is CFASWYQZODKGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-12-11(15)16-7-9-13-14-10(17-9)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,15).
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl N-methylcarbamate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl N-methylcarbamate has a molecular weight of 233.23 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl N-methylcarbamate is sourced from PubChem (CID 3041363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).