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

C15H11F3N6O3 — CID 155585178

IUPACN'-hydroxy-5-[[5-[5-(trifluoromethoxy)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide
SMILESNC(=NO)c1ccc(Nc2ncc(-c3ccc(OC(F)(F)F)cn3)o2)cn1
InChIInChI=1S/C15H11F3N6O3/c16-15(17,18)27-9-2-4-10(21-6-9)12-7-22-14(26-12)23-8-1-3-11(20-5-8)13(19)24-25/h1-7,25H,(H2,19,24)(H,22,23)
InChIKeyNGOBPNAXZPFFQU-UHFFFAOYSA-N
MW380.29 g/mol
LogP2.87
Rot. Bonds5

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

N'-hydroxy-5-[[5-[5-(trifluoromethoxy)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide (PubChem CID 155585178) has the molecular formula C15H11F3N6O3 and a molecular weight of 380.29 g/mol. Its IUPAC name is N'-hydroxy-5-[[5-[5-(trifluoromethoxy)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[[5-[5-(trifluoromethoxy)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide
PubChem CID155585178
Molecular FormulaC15H11F3N6O3
Molecular Weight380.29 g/mol
Exact Mass380.08
IUPAC NameN'-hydroxy-5-[[5-[5-(trifluoromethoxy)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide
SMILESNC(=NO)c1ccc(Nc2ncc(-c3ccc(OC(F)(F)F)cn3)o2)cn1
InChIInChI=1S/C15H11F3N6O3/c16-15(17,18)27-9-2-4-10(21-6-9)12-7-22-14(26-12)23-8-1-3-11(20-5-8)13(19)24-25/h1-7,25H,(H2,19,24)(H,22,23)
InChIKeyNGOBPNAXZPFFQU-UHFFFAOYSA-N
XLogP2.87
TPSA131.68 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[[5-[5-(trifluoromethoxy)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-5-[[5-[5-(trifluoromethoxy)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide (CID 155585178) is N'-hydroxy-5-[[5-[5-(trifluoromethoxy)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-[[5-[5-(trifluoromethoxy)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-5-[[5-[5-(trifluoromethoxy)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide is NC(=NO)c1ccc(Nc2ncc(-c3ccc(OC(F)(F)F)cn3)o2)cn1.
What is the InChIKey of N'-hydroxy-5-[[5-[5-(trifluoromethoxy)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide?
The InChIKey is NGOBPNAXZPFFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N6O3/c16-15(17,18)27-9-2-4-10(21-6-9)12-7-22-14(26-12)23-8-1-3-11(20-5-8)13(19)24-25/h1-7,25H,(H2,19,24)(H,22,23).
What are the key properties of N'-hydroxy-5-[[5-[5-(trifluoromethoxy)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide?
N'-hydroxy-5-[[5-[5-(trifluoromethoxy)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide has a molecular weight of 380.29 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[[5-[5-(trifluoromethoxy)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide is sourced from PubChem (CID 155585178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).