6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide

C14H11FN6O2 — CID 167630824

IUPAC6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide
SMILESNC(=NO)c1ccc(Nc2ncc(-c3ccc(F)cc3)o2)nn1
InChIInChI=1S/C14H11FN6O2/c15-9-3-1-8(2-4-9)11-7-17-14(23-11)18-12-6-5-10(19-20-12)13(16)21-22/h1-7,22H,(H2,16,21)(H,17,18,20)
InChIKeyNTSVURAMMHHSPM-UHFFFAOYSA-N
MW314.28 g/mol
LogP2.11
Rot. Bonds4

About 6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide

6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide (PubChem CID 167630824) has the molecular formula C14H11FN6O2 and a molecular weight of 314.28 g/mol. Its IUPAC name is 6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide.

Molecular Properties

Compound Name6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide
PubChem CID167630824
Molecular FormulaC14H11FN6O2
Molecular Weight314.28 g/mol
Exact Mass314.09
IUPAC Name6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide
SMILESNC(=NO)c1ccc(Nc2ncc(-c3ccc(F)cc3)o2)nn1
InChIInChI=1S/C14H11FN6O2/c15-9-3-1-8(2-4-9)11-7-17-14(23-11)18-12-6-5-10(19-20-12)13(16)21-22/h1-7,22H,(H2,16,21)(H,17,18,20)
InChIKeyNTSVURAMMHHSPM-UHFFFAOYSA-N
XLogP2.11
TPSA122.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.28
LogP ≤ 52.11
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'}

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Related Compounds

Aminoxazole 23
CID 5329403
{4-[4-(4-Fluoro-phenyl)-oxazol-5-yl]-pyridin-2-yl}-urea
CID 69085448
2-fluoro-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4123514
3-phenyl-N-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
CID 7100775
N-(4-fluorophenyl)-5-[3-(2H-tetrazol-5-yl)phenyl]-1,3-oxazol-2-amine
CID 139441371
US10398706, Example 2
CID 137315040
3-fluoro-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 3352890
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-pyridin-2-ylpropanamide
CID 18136880
2-(4-fluorophenyl)-N-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)acetamide
CID 18586577
N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 53622008
N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
CID 72144280
N-(3-methyl-2-pyridinyl)-5-pyridin-2-yl-1,3-oxazol-2-amine
CID 162669351

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide?
The IUPAC name of 6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide (CID 167630824) is 6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide.
What is the SMILES notation for 6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide?
The canonical SMILES for 6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide is NC(=NO)c1ccc(Nc2ncc(-c3ccc(F)cc3)o2)nn1.
What is the InChIKey of 6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide?
The InChIKey is NTSVURAMMHHSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN6O2/c15-9-3-1-8(2-4-9)11-7-17-14(23-11)18-12-6-5-10(19-20-12)13(16)21-22/h1-7,22H,(H2,16,21)(H,17,18,20).
What are the key properties of 6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide?
6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide has a molecular weight of 314.28 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridazine-3-carboximidamide is sourced from PubChem (CID 167630824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).