2-(2-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole

C9H8FN3OS — CID 164645399

IUPAC2-(2-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(Sc2ccnc(F)n2)oc1C
InChIInChI=1S/C9H8FN3OS/c1-5-6(2)14-9(12-5)15-7-3-4-11-8(10)13-7/h3-4H,1-2H3
InChIKeyKMQXBPVCWWKQMP-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.37
Rot. Bonds2

About 2-(2-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole

2-(2-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole (PubChem CID 164645399) has the molecular formula C9H8FN3OS and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(2-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-(2-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole
PubChem CID164645399
Molecular FormulaC9H8FN3OS
Molecular Weight225.25 g/mol
Exact Mass225.04
IUPAC Name2-(2-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(Sc2ccnc(F)n2)oc1C
InChIInChI=1S/C9H8FN3OS/c1-5-6(2)14-9(12-5)15-7-3-4-11-8(10)13-7/h3-4H,1-2H3
InChIKeyKMQXBPVCWWKQMP-UHFFFAOYSA-N
XLogP2.37
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole 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-(2-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-(2-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole (CID 164645399) is 2-(2-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-(2-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-(2-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole is Cc1nc(Sc2ccnc(F)n2)oc1C.
What is the InChIKey of 2-(2-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole?
The InChIKey is KMQXBPVCWWKQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3OS/c1-5-6(2)14-9(12-5)15-7-3-4-11-8(10)13-7/h3-4H,1-2H3.
What are the key properties of 2-(2-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole?
2-(2-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole has a molecular weight of 225.25 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropyrimidin-4-yl)sulfanyl-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 164645399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).