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

C11H8F3N3OS — CID 106922787

IUPAC2-(1,3-oxazol-2-ylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C(F)(F)F)ccc1Sc1ncco1
InChIInChI=1S/C11H8F3N3OS/c12-11(13,14)6-1-2-8(7(5-6)9(15)16)19-10-17-3-4-18-10/h1-5H,(H3,15,16)
InChIKeyGUUQCTMIIJBIEW-UHFFFAOYSA-N
MW287.27 g/mol
LogP3.13
Rot. Bonds3

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

2-(1,3-oxazol-2-ylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide (PubChem CID 106922787) has the molecular formula C11H8F3N3OS and a molecular weight of 287.27 g/mol. Its IUPAC name is 2-(1,3-oxazol-2-ylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-(1,3-oxazol-2-ylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide
PubChem CID106922787
Molecular FormulaC11H8F3N3OS
Molecular Weight287.27 g/mol
Exact Mass287.03
IUPAC Name2-(1,3-oxazol-2-ylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C(F)(F)F)ccc1Sc1ncco1
InChIInChI=1S/C11H8F3N3OS/c12-11(13,14)6-1-2-8(7(5-6)9(15)16)19-10-17-3-4-18-10/h1-5H,(H3,15,16)
InChIKeyGUUQCTMIIJBIEW-UHFFFAOYSA-N
XLogP3.13
TPSA75.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 53.13
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-(1,3-Oxazol-2-ylsulfanyl)-5-(trifluoromethyl)aniline
CID 106921301
4-(1,3-Oxazol-2-ylsulfanyl)-3-(trifluoromethyl)aniline
CID 106921387
3-(Difluoromethyl)-4-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921389
2-(1,3-Oxazol-2-ylsulfanyl)-5-(trifluoromethyl)benzonitrile
CID 106922381
3,5-difluoro-N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
CID 106922576
N'-hydroxy-5-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzenecarboximidamide
CID 106922580
N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide
CID 106922586
5-fluoro-N'-hydroxy-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
CID 106922593
3-fluoro-N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
CID 106922599
N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzenecarboximidamide
CID 106922601
5-fluoro-N'-hydroxy-2-(1,3-oxazol-2-ylsulfanylmethyl)benzenecarboximidamide
CID 106922693
3-fluoro-N'-hydroxy-5-(1,3-oxazol-2-ylsulfanylmethyl)benzenecarboximidamide
CID 106922710

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxazol-2-ylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 2-(1,3-oxazol-2-ylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide (CID 106922787) is 2-(1,3-oxazol-2-ylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 2-(1,3-oxazol-2-ylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 2-(1,3-oxazol-2-ylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide is [H]/N=C(\N)c1cc(C(F)(F)F)ccc1Sc1ncco1.
What is the InChIKey of 2-(1,3-oxazol-2-ylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is GUUQCTMIIJBIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3OS/c12-11(13,14)6-1-2-8(7(5-6)9(15)16)19-10-17-3-4-18-10/h1-5H,(H3,15,16).
What are the key properties of 2-(1,3-oxazol-2-ylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide?
2-(1,3-oxazol-2-ylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 287.27 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazol-2-ylsulfanyl)-5-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 106922787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).