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

C10H8FN3OS — CID 106922786

IUPAC5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1Sc1ncco1
InChIInChI=1S/C10H8FN3OS/c11-6-1-2-8(7(5-6)9(12)13)16-10-14-3-4-15-10/h1-5H,(H3,12,13)
InChIKeyLFESYLIGGSVQQG-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.25
Rot. Bonds3

About 5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide

5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide (PubChem CID 106922786) has the molecular formula C10H8FN3OS and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
PubChem CID106922786
Molecular FormulaC10H8FN3OS
Molecular Weight237.26 g/mol
Exact Mass237.04
IUPAC Name5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1Sc1ncco1
InChIInChI=1S/C10H8FN3OS/c11-6-1-2-8(7(5-6)9(12)13)16-10-14-3-4-15-10/h1-5H,(H3,12,13)
InChIKeyLFESYLIGGSVQQG-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'}

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Related Compounds

2-Fluoro-6-(1,3-oxazol-2-ylsulfanyl)benzonitrile
CID 106898488
4-(1,3-Oxazol-2-ylsulfanyl)-3-(trifluoromethyl)aniline
CID 106921387
3-(Difluoromethyl)-4-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921389
5-Fluoro-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921411
2-(3-Fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106921761
2-(4-Fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106921768
3-Fluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)aniline
CID 106921775
2-Fluoro-4-(1,3-oxazol-2-ylsulfanylmethyl)aniline
CID 106921776
3-Fluoro-5-(1,3-oxazol-2-ylsulfanylmethyl)aniline
CID 106921777
4-Fluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)aniline
CID 106921786
2-(2-Fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106921840
3-Fluoro-4-(1,3-oxazol-2-ylsulfanylmethyl)aniline
CID 106921857

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide?
The IUPAC name of 5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide (CID 106922786) is 5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide?
The canonical SMILES for 5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1Sc1ncco1.
What is the InChIKey of 5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide?
The InChIKey is LFESYLIGGSVQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3OS/c11-6-1-2-8(7(5-6)9(12)13)16-10-14-3-4-15-10/h1-5H,(H3,12,13).
What are the key properties of 5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide?
5-fluoro-2-(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 5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide is sourced from PubChem (CID 106922786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).