3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide

C10H8FN3OS — CID 106922790

IUPAC3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Sc2ncco2)c(F)c1
InChIInChI=1S/C10H8FN3OS/c11-7-5-6(9(12)13)1-2-8(7)16-10-14-3-4-15-10/h1-5H,(H3,12,13)
InChIKeyCWMMNVSWFFQGAR-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.25
Rot. Bonds3

About 3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide

3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide (PubChem CID 106922790) has the molecular formula C10H8FN3OS and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
PubChem CID106922790
Molecular FormulaC10H8FN3OS
Molecular Weight237.26 g/mol
Exact Mass237.04
IUPAC Name3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Sc2ncco2)c(F)c1
InChIInChI=1S/C10H8FN3OS/c11-7-5-6(9(12)13)1-2-8(7)16-10-14-3-4-15-10/h1-5H,(H3,12,13)
InChIKeyCWMMNVSWFFQGAR-UHFFFAOYSA-N
XLogP2.25
TPSA75.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide 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 3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide?
The IUPAC name of 3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide (CID 106922790) is 3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide?
The canonical SMILES for 3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Sc2ncco2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide?
The InChIKey is CWMMNVSWFFQGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3OS/c11-7-5-6(9(12)13)1-2-8(7)16-10-14-3-4-15-10/h1-5H,(H3,12,13).
What are the key properties of 3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide?
3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide has a molecular weight of 237.26 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide is sourced from PubChem (CID 106922790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).