[6-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]pyridazin-3-yl]methanesulfinic acid

C14H10FN3O3S — CID 174680307

IUPAC[6-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]pyridazin-3-yl]methanesulfinic acid
SMILESO=S(O)Cc1ccc(-c2ncoc2-c2ccc(F)cc2)nn1
InChIInChI=1S/C14H10FN3O3S/c15-10-3-1-9(2-4-10)14-13(16-8-21-14)12-6-5-11(17-18-12)7-22(19)20/h1-6,8H,7H2,(H,19,20)
InChIKeyJCVZLMLVEHSGFQ-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.66
Rot. Bonds4

About [6-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]pyridazin-3-yl]methanesulfinic acid

[6-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]pyridazin-3-yl]methanesulfinic acid (PubChem CID 174680307) has the molecular formula C14H10FN3O3S and a molecular weight of 319.32 g/mol. Its IUPAC name is [6-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]pyridazin-3-yl]methanesulfinic acid.

Molecular Properties

Compound Name[6-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]pyridazin-3-yl]methanesulfinic acid
PubChem CID174680307
Molecular FormulaC14H10FN3O3S
Molecular Weight319.32 g/mol
Exact Mass319.04
IUPAC Name[6-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]pyridazin-3-yl]methanesulfinic acid
SMILESO=S(O)Cc1ccc(-c2ncoc2-c2ccc(F)cc2)nn1
InChIInChI=1S/C14H10FN3O3S/c15-10-3-1-9(2-4-10)14-13(16-8-21-14)12-6-5-11(17-18-12)7-22(19)20/h1-6,8H,7H2,(H,19,20)
InChIKeyJCVZLMLVEHSGFQ-UHFFFAOYSA-N
XLogP2.66
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [6-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]pyridazin-3-yl]methanesulfinic acid 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

[6-[5-[(5-chloro-2-pyridinyl)sulfanyl]-2-(4-fluorophenyl)-1,3-oxazol-4-yl]pyridazin-3-yl]methanesulfinic acid
CID 175276283
[4-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-pyridinyl]urea
CID 69085448
[4-[4-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanesulfinic acid
CID 174491571
[5-(4-fluorophenyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 110244642
N-[2-[[5-(4-fluorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamate
CID 19768465
5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 16675997
4-(4-fluorophenyl)-5-(3-propan-2-yloxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole
CID 23647336
N-cyclopropyl-5-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 73440583
5-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]-1,3-oxazole-4-carboxamide
CID 51492681
4,5-bis(4-methylphenyl)-1,3-oxazole;2-sulfanylethanol
CID 21408454
5-(4-fluorophenyl)-N-pyridin-4-yl-1,3-oxazole-4-carboxamide
CID 139006704
4-(4-fluorophenyl)-5-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazole
CID 10568477

Frequently Asked Questions

What is the IUPAC name of [6-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]pyridazin-3-yl]methanesulfinic acid?
The IUPAC name of [6-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]pyridazin-3-yl]methanesulfinic acid (CID 174680307) is [6-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]pyridazin-3-yl]methanesulfinic acid.
What is the SMILES notation for [6-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]pyridazin-3-yl]methanesulfinic acid?
The canonical SMILES for [6-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]pyridazin-3-yl]methanesulfinic acid is O=S(O)Cc1ccc(-c2ncoc2-c2ccc(F)cc2)nn1.
What is the InChIKey of [6-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]pyridazin-3-yl]methanesulfinic acid?
The InChIKey is JCVZLMLVEHSGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O3S/c15-10-3-1-9(2-4-10)14-13(16-8-21-14)12-6-5-11(17-18-12)7-22(19)20/h1-6,8H,7H2,(H,19,20).
What are the key properties of [6-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]pyridazin-3-yl]methanesulfinic acid?
[6-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]pyridazin-3-yl]methanesulfinic acid has a molecular weight of 319.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]pyridazin-3-yl]methanesulfinic acid is sourced from PubChem (CID 174680307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).