3-fluoro-N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide

C15H10F4N6O2 — CID 155585112

IUPAC3-fluoro-N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide
SMILESNC(=NO)c1ncc(Nc2ncc(-c3ccc(C(F)(F)F)cn3)o2)cc1F
InChIInChI=1S/C15H10F4N6O2/c16-9-3-8(5-22-12(9)13(20)25-26)24-14-23-6-11(27-14)10-2-1-7(4-21-10)15(17,18)19/h1-6,26H,(H2,20,25)(H,23,24)
InChIKeyBXLMPRBXWXTPNV-UHFFFAOYSA-N
MW382.28 g/mol
LogP3.13
Rot. Bonds4

About 3-fluoro-N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide

3-fluoro-N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide (PubChem CID 155585112) has the molecular formula C15H10F4N6O2 and a molecular weight of 382.28 g/mol. Its IUPAC name is 3-fluoro-N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide
PubChem CID155585112
Molecular FormulaC15H10F4N6O2
Molecular Weight382.28 g/mol
Exact Mass382.08
IUPAC Name3-fluoro-N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide
SMILESNC(=NO)c1ncc(Nc2ncc(-c3ccc(C(F)(F)F)cn3)o2)cc1F
InChIInChI=1S/C15H10F4N6O2/c16-9-3-8(5-22-12(9)13(20)25-26)24-14-23-6-11(27-14)10-2-1-7(4-21-10)15(17,18)19/h1-6,26H,(H2,20,25)(H,23,24)
InChIKeyBXLMPRBXWXTPNV-UHFFFAOYSA-N
XLogP3.13
TPSA122.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.28
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-fluoro-N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide with MolForge

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Related Compounds

N',3-dihydroxy-5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide
CID 172932788
N',3-dihydroxy-5-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide
CID 172965921
5-[[5-(5-fluoropyrazin-2-yl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide
CID 164936186
N'-hydroxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide
CID 155585177
N',5-dihydroxy-2-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide
CID 167557307
N'-hydroxy-5-[[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]amino]pyridine-2-carboximidamide
CID 167712558
N',3-dihydroxy-5-[[1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]amino]pyridine-2-carboximidamide
CID 155585231
5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide
CID 172942272
N'-hydroxy-5-(trifluoromethyl)pyridine-2-carboximidamide
CID 135949149
5-[[5-[4-(difluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide
CID 155585247
N'-hydroxy-3-[4-(trifluoromethyl)anilino]pyridine-2-carboximidamide
CID 175873735
1-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenyl]ethanone
CID 157392121

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide?
The IUPAC name of 3-fluoro-N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide (CID 155585112) is 3-fluoro-N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide.
What is the SMILES notation for 3-fluoro-N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide?
The canonical SMILES for 3-fluoro-N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide is NC(=NO)c1ncc(Nc2ncc(-c3ccc(C(F)(F)F)cn3)o2)cc1F.
What is the InChIKey of 3-fluoro-N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide?
The InChIKey is BXLMPRBXWXTPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N6O2/c16-9-3-8(5-22-12(9)13(20)25-26)24-14-23-6-11(27-14)10-2-1-7(4-21-10)15(17,18)19/h1-6,26H,(H2,20,25)(H,23,24).
What are the key properties of 3-fluoro-N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide?
3-fluoro-N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide has a molecular weight of 382.28 g/mol, XLogP of 3.13, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide is sourced from PubChem (CID 155585112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).