2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,3-benzoxazole

C15H11N3OS — CID 716574

IUPAC2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,3-benzoxazole
SMILESc1ccc2oc(SCc3cn4ccccc4n3)nc2c1
InChIInChI=1S/C15H11N3OS/c1-2-6-13-12(5-1)17-15(19-13)20-10-11-9-18-8-4-3-7-14(18)16-11/h1-9H,10H2
InChIKeyOPZUGZVPWZADKE-UHFFFAOYSA-N
MW281.34 g/mol
LogP3.77
Rot. Bonds3

About 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,3-benzoxazole

2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,3-benzoxazole (PubChem CID 716574) has the molecular formula C15H11N3OS and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,3-benzoxazole
PubChem CID716574
Molecular FormulaC15H11N3OS
Molecular Weight281.34 g/mol
Exact Mass281.06
IUPAC Name2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,3-benzoxazole
SMILESc1ccc2oc(SCc3cn4ccccc4n3)nc2c1
InChIInChI=1S/C15H11N3OS/c1-2-6-13-12(5-1)17-15(19-13)20-10-11-9-18-8-4-3-7-14(18)16-11/h1-9H,10H2
InChIKeyOPZUGZVPWZADKE-UHFFFAOYSA-N
XLogP3.77
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,3-benzoxazole 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-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,3-benzoxazole?
The IUPAC name of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,3-benzoxazole (CID 716574) is 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,3-benzoxazole?
The canonical SMILES for 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,3-benzoxazole is c1ccc2oc(SCc3cn4ccccc4n3)nc2c1.
What is the InChIKey of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,3-benzoxazole?
The InChIKey is OPZUGZVPWZADKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3OS/c1-2-6-13-12(5-1)17-15(19-13)20-10-11-9-18-8-4-3-7-14(18)16-11/h1-9H,10H2.
What are the key properties of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,3-benzoxazole?
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,3-benzoxazole has a molecular weight of 281.34 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,3-benzoxazole is sourced from PubChem (CID 716574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).