2-(3-nitroimidazo[1,2-a]pyridin-2-yl)sulfanyl-5-phenyl-1,3-oxazole

C16H10N4O3S — CID 71883490

IUPAC2-(3-nitroimidazo[1,2-a]pyridin-2-yl)sulfanyl-5-phenyl-1,3-oxazole
SMILESO=[N+]([O-])c1c(Sc2ncc(-c3ccccc3)o2)nc2ccccn12
InChIInChI=1S/C16H10N4O3S/c21-20(22)15-14(18-13-8-4-5-9-19(13)15)24-16-17-10-12(23-16)11-6-2-1-3-7-11/h1-10H
InChIKeyBTFTVFILRONUCV-UHFFFAOYSA-N
MW338.35 g/mol
LogP4.05
Rot. Bonds4

About 2-(3-nitroimidazo[1,2-a]pyridin-2-yl)sulfanyl-5-phenyl-1,3-oxazole

2-(3-nitroimidazo[1,2-a]pyridin-2-yl)sulfanyl-5-phenyl-1,3-oxazole (PubChem CID 71883490) has the molecular formula C16H10N4O3S and a molecular weight of 338.35 g/mol. Its IUPAC name is 2-(3-nitroimidazo[1,2-a]pyridin-2-yl)sulfanyl-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-(3-nitroimidazo[1,2-a]pyridin-2-yl)sulfanyl-5-phenyl-1,3-oxazole
PubChem CID71883490
Molecular FormulaC16H10N4O3S
Molecular Weight338.35 g/mol
Exact Mass338.05
IUPAC Name2-(3-nitroimidazo[1,2-a]pyridin-2-yl)sulfanyl-5-phenyl-1,3-oxazole
SMILESO=[N+]([O-])c1c(Sc2ncc(-c3ccccc3)o2)nc2ccccn12
InChIInChI=1S/C16H10N4O3S/c21-20(22)15-14(18-13-8-4-5-9-19(13)15)24-16-17-10-12(23-16)11-6-2-1-3-7-11/h1-10H
InChIKeyBTFTVFILRONUCV-UHFFFAOYSA-N
XLogP4.05
TPSA86.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-nitroimidazo[1,2-a]pyridin-2-yl)sulfanyl-5-phenyl-1,3-oxazole?
The IUPAC name of 2-(3-nitroimidazo[1,2-a]pyridin-2-yl)sulfanyl-5-phenyl-1,3-oxazole (CID 71883490) is 2-(3-nitroimidazo[1,2-a]pyridin-2-yl)sulfanyl-5-phenyl-1,3-oxazole.
What is the SMILES notation for 2-(3-nitroimidazo[1,2-a]pyridin-2-yl)sulfanyl-5-phenyl-1,3-oxazole?
The canonical SMILES for 2-(3-nitroimidazo[1,2-a]pyridin-2-yl)sulfanyl-5-phenyl-1,3-oxazole is O=[N+]([O-])c1c(Sc2ncc(-c3ccccc3)o2)nc2ccccn12.
What is the InChIKey of 2-(3-nitroimidazo[1,2-a]pyridin-2-yl)sulfanyl-5-phenyl-1,3-oxazole?
The InChIKey is BTFTVFILRONUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O3S/c21-20(22)15-14(18-13-8-4-5-9-19(13)15)24-16-17-10-12(23-16)11-6-2-1-3-7-11/h1-10H.
What are the key properties of 2-(3-nitroimidazo[1,2-a]pyridin-2-yl)sulfanyl-5-phenyl-1,3-oxazole?
2-(3-nitroimidazo[1,2-a]pyridin-2-yl)sulfanyl-5-phenyl-1,3-oxazole has a molecular weight of 338.35 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitroimidazo[1,2-a]pyridin-2-yl)sulfanyl-5-phenyl-1,3-oxazole is sourced from PubChem (CID 71883490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).