4-(methoxymethyl)-2-phenyl-1,3-selenazole

C11H11NOSe — CID 10824668

IUPAC4-(methoxymethyl)-2-phenyl-1,3-selenazole
SMILESCOCc1c[se]c(-c2ccccc2)n1
InChIInChI=1S/C11H11NOSe/c1-13-7-10-8-14-11(12-10)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyMRXDKQCMTUIWBV-UHFFFAOYSA-N
MW252.18 g/mol
LogP1.95
Rot. Bonds3

About 4-(methoxymethyl)-2-phenyl-1,3-selenazole

4-(methoxymethyl)-2-phenyl-1,3-selenazole (PubChem CID 10824668) has the molecular formula C11H11NOSe and a molecular weight of 252.18 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-phenyl-1,3-selenazole.

Molecular Properties

Compound Name4-(methoxymethyl)-2-phenyl-1,3-selenazole
PubChem CID10824668
Molecular FormulaC11H11NOSe
Molecular Weight252.18 g/mol
Exact Mass253.00
IUPAC Name4-(methoxymethyl)-2-phenyl-1,3-selenazole
SMILESCOCc1c[se]c(-c2ccccc2)n1
InChIInChI=1S/C11H11NOSe/c1-13-7-10-8-14-11(12-10)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyMRXDKQCMTUIWBV-UHFFFAOYSA-N
XLogP1.95
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.18
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-(methoxymethyl)-2-phenyl-1,3-selenazole 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-(methoxymethyl)-2-phenyl-1,3-selenazole?
The IUPAC name of 4-(methoxymethyl)-2-phenyl-1,3-selenazole (CID 10824668) is 4-(methoxymethyl)-2-phenyl-1,3-selenazole.
What is the SMILES notation for 4-(methoxymethyl)-2-phenyl-1,3-selenazole?
The canonical SMILES for 4-(methoxymethyl)-2-phenyl-1,3-selenazole is COCc1c[se]c(-c2ccccc2)n1.
What is the InChIKey of 4-(methoxymethyl)-2-phenyl-1,3-selenazole?
The InChIKey is MRXDKQCMTUIWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOSe/c1-13-7-10-8-14-11(12-10)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3.
What are the key properties of 4-(methoxymethyl)-2-phenyl-1,3-selenazole?
4-(methoxymethyl)-2-phenyl-1,3-selenazole has a molecular weight of 252.18 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-phenyl-1,3-selenazole is sourced from PubChem (CID 10824668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).