2-[chloro(phenyl)methyl]-5-(4-methylthiophen-3-yl)-1,3,4-oxadiazole

C14H11ClN2OS — CID 79802151

IUPAC2-[chloro(phenyl)methyl]-5-(4-methylthiophen-3-yl)-1,3,4-oxadiazole
SMILESCc1cscc1-c1nnc(C(Cl)c2ccccc2)o1
InChIInChI=1S/C14H11ClN2OS/c1-9-7-19-8-11(9)13-16-17-14(18-13)12(15)10-5-3-2-4-6-10/h2-8,12H,1H3
InChIKeyQEZDXVSHADKNHY-UHFFFAOYSA-N
MW290.78 g/mol
LogP4.43
Rot. Bonds3

About 2-[chloro(phenyl)methyl]-5-(4-methylthiophen-3-yl)-1,3,4-oxadiazole

2-[chloro(phenyl)methyl]-5-(4-methylthiophen-3-yl)-1,3,4-oxadiazole (PubChem CID 79802151) has the molecular formula C14H11ClN2OS and a molecular weight of 290.78 g/mol. Its IUPAC name is 2-[chloro(phenyl)methyl]-5-(4-methylthiophen-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[chloro(phenyl)methyl]-5-(4-methylthiophen-3-yl)-1,3,4-oxadiazole
PubChem CID79802151
Molecular FormulaC14H11ClN2OS
Molecular Weight290.78 g/mol
Exact Mass290.03
IUPAC Name2-[chloro(phenyl)methyl]-5-(4-methylthiophen-3-yl)-1,3,4-oxadiazole
SMILESCc1cscc1-c1nnc(C(Cl)c2ccccc2)o1
InChIInChI=1S/C14H11ClN2OS/c1-9-7-19-8-11(9)13-16-17-14(18-13)12(15)10-5-3-2-4-6-10/h2-8,12H,1H3
InChIKeyQEZDXVSHADKNHY-UHFFFAOYSA-N
XLogP4.43
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[chloro(phenyl)methyl]-5-(4-methylthiophen-3-yl)-1,3,4-oxadiazole 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 2-[chloro(phenyl)methyl]-5-(4-methylthiophen-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[chloro(phenyl)methyl]-5-(4-methylthiophen-3-yl)-1,3,4-oxadiazole (CID 79802151) is 2-[chloro(phenyl)methyl]-5-(4-methylthiophen-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[chloro(phenyl)methyl]-5-(4-methylthiophen-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[chloro(phenyl)methyl]-5-(4-methylthiophen-3-yl)-1,3,4-oxadiazole is Cc1cscc1-c1nnc(C(Cl)c2ccccc2)o1.
What is the InChIKey of 2-[chloro(phenyl)methyl]-5-(4-methylthiophen-3-yl)-1,3,4-oxadiazole?
The InChIKey is QEZDXVSHADKNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2OS/c1-9-7-19-8-11(9)13-16-17-14(18-13)12(15)10-5-3-2-4-6-10/h2-8,12H,1H3.
What are the key properties of 2-[chloro(phenyl)methyl]-5-(4-methylthiophen-3-yl)-1,3,4-oxadiazole?
2-[chloro(phenyl)methyl]-5-(4-methylthiophen-3-yl)-1,3,4-oxadiazole has a molecular weight of 290.78 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(phenyl)methyl]-5-(4-methylthiophen-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 79802151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).