5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide

C16H14FN5O2 — CID 172942272

IUPAC5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide
SMILESCc1ccc(-c2cnc(Nc3ccc(/C(N)=N/O)nc3)o2)cc1F
InChIInChI=1S/C16H14FN5O2/c1-9-2-3-10(6-12(9)17)14-8-20-16(24-14)21-11-4-5-13(19-7-11)15(18)22-23/h2-8,23H,1H3,(H2,18,22)(H,20,21)
InChIKeyFMSHFIXBAYBYQP-UHFFFAOYSA-N
MW327.32 g/mol
LogP3.02
Rot. Bonds4

About 5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide

5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide (PubChem CID 172942272) has the molecular formula C16H14FN5O2 and a molecular weight of 327.32 g/mol. Its IUPAC name is 5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide
PubChem CID172942272
Molecular FormulaC16H14FN5O2
Molecular Weight327.32 g/mol
Exact Mass327.11
IUPAC Name5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide
SMILESCc1ccc(-c2cnc(Nc3ccc(/C(N)=N/O)nc3)o2)cc1F
InChIInChI=1S/C16H14FN5O2/c1-9-2-3-10(6-12(9)17)14-8-20-16(24-14)21-11-4-5-13(19-7-11)15(18)22-23/h2-8,23H,1H3,(H2,18,22)(H,20,21)
InChIKeyFMSHFIXBAYBYQP-UHFFFAOYSA-N
XLogP3.02
TPSA109.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

5-[[5-[4-(difluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide
CID 155585247
5-[[5-(5-fluoropyrazin-2-yl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide
CID 164936186
methyl 5-[[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxylate
CID 155585480
5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide
CID 155585459
N',3-dihydroxy-5-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide
CID 172965921
4-[2-(3,4-dimethylanilino)-1,3-oxazol-5-yl]benzamide
CID 166108152
N'-hydroxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide
CID 155585177
N'-hydroxy-5-[5-[6-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]furan-2-yl]pyridine-2-carboximidamide
CID 172920316
N-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65179112
3-fluoro-N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide
CID 155585112
N',3-dihydroxy-5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide
CID 172932788
N-[(2R)-2,3-dihydroxypropyl]-5-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide
CID 155585279

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide (CID 172942272) is 5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide is Cc1ccc(-c2cnc(Nc3ccc(/C(N)=N/O)nc3)o2)cc1F.
What is the InChIKey of 5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is FMSHFIXBAYBYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O2/c1-9-2-3-10(6-12(9)17)14-8-20-16(24-14)21-11-4-5-13(19-7-11)15(18)22-23/h2-8,23H,1H3,(H2,18,22)(H,20,21).
What are the key properties of 5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide?
5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 327.32 g/mol, XLogP of 3.02, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 172942272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).