2-[(6-fluoro-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole

C10H9FN2OS — CID 106923491

IUPAC2-[(6-fluoro-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(Sc2cccc(F)n2)oc1C
InChIInChI=1S/C10H9FN2OS/c1-6-7(2)14-10(12-6)15-9-5-3-4-8(11)13-9/h3-5H,1-2H3
InChIKeyUUKRVVNBUFMJHT-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.98
Rot. Bonds2

About 2-[(6-fluoro-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole

2-[(6-fluoro-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole (PubChem CID 106923491) has the molecular formula C10H9FN2OS and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[(6-fluoro-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(6-fluoro-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole
PubChem CID106923491
Molecular FormulaC10H9FN2OS
Molecular Weight224.26 g/mol
Exact Mass224.04
IUPAC Name2-[(6-fluoro-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(Sc2cccc(F)n2)oc1C
InChIInChI=1S/C10H9FN2OS/c1-6-7(2)14-10(12-6)15-9-5-3-4-8(11)13-9/h3-5H,1-2H3
InChIKeyUUKRVVNBUFMJHT-UHFFFAOYSA-N
XLogP2.98
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[(6-fluoro-2-pyridinyl)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

Related Compounds

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
CID 9422887
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
CID 9423321
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
CID 39922339
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-fluorophenyl)propanamide
CID 47477166
4,5-Dimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1,3-oxazole
CID 84593435
4-Methyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole
CID 103525453
2-[(5-Chloro-3-fluoro-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole
CID 103738555
4,5-Dimethyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)sulfanyl]-1,3-oxazole
CID 103749776
3-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoroaniline
CID 106921680
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-fluoroaniline
CID 106921682
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-3,4-difluoroaniline
CID 106921729
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluoroaniline
CID 106921749

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-[(6-fluoro-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole (CID 106923491) is 2-[(6-fluoro-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-[(6-fluoro-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-[(6-fluoro-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole is Cc1nc(Sc2cccc(F)n2)oc1C.
What is the InChIKey of 2-[(6-fluoro-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole?
The InChIKey is UUKRVVNBUFMJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2OS/c1-6-7(2)14-10(12-6)15-9-5-3-4-8(11)13-9/h3-5H,1-2H3.
What are the key properties of 2-[(6-fluoro-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole?
2-[(6-fluoro-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole has a molecular weight of 224.26 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 106923491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).