N'-amino-3-fluoro-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenecarboximidamide

C15H12FN5O — CID 143438229

IUPACN'-amino-3-fluoro-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenecarboximidamide
SMILESN/N=C(\N)c1ccc(-c2nc(-c3ccccc3)no2)c(F)c1
InChIInChI=1S/C15H12FN5O/c16-12-8-10(13(17)20-18)6-7-11(12)15-19-14(21-22-15)9-4-2-1-3-5-9/h1-8H,18H2,(H2,17,20)
InChIKeyNZMUSFWCDIQXDY-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.12
Rot. Bonds3

About N'-amino-3-fluoro-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenecarboximidamide

N'-amino-3-fluoro-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenecarboximidamide (PubChem CID 143438229) has the molecular formula C15H12FN5O and a molecular weight of 297.29 g/mol. Its IUPAC name is N'-amino-3-fluoro-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-amino-3-fluoro-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenecarboximidamide
PubChem CID143438229
Molecular FormulaC15H12FN5O
Molecular Weight297.29 g/mol
Exact Mass297.10
IUPAC NameN'-amino-3-fluoro-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenecarboximidamide
SMILESN/N=C(\N)c1ccc(-c2nc(-c3ccccc3)no2)c(F)c1
InChIInChI=1S/C15H12FN5O/c16-12-8-10(13(17)20-18)6-7-11(12)15-19-14(21-22-15)9-4-2-1-3-5-9/h1-8H,18H2,(H2,17,20)
InChIKeyNZMUSFWCDIQXDY-UHFFFAOYSA-N
XLogP2.12
TPSA103.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(2-chloro-4,5-difluorophenyl)-3-phenyl-1,2,4-oxadiazole
CID 6459796
[4-[5-(3-fluoro-4-phenylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 59509428
3-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenol
CID 167906493
3-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525304
3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 42281998
[4-[3-(3-fluoro-4-phenylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanol
CID 59509485
2-amino-2-(hydroxymethyl)propane-1,3-diol;3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 91884623
[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanediol
CID 123369622
5-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 58559390
5-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-hydroxybenzoic acid
CID 135924068
[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamic acid
CID 91226224
sodium 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoate
CID 23705996

Frequently Asked Questions

What is the IUPAC name of N'-amino-3-fluoro-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenecarboximidamide?
The IUPAC name of N'-amino-3-fluoro-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenecarboximidamide (CID 143438229) is N'-amino-3-fluoro-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenecarboximidamide.
What is the SMILES notation for N'-amino-3-fluoro-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenecarboximidamide?
The canonical SMILES for N'-amino-3-fluoro-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenecarboximidamide is N/N=C(\N)c1ccc(-c2nc(-c3ccccc3)no2)c(F)c1.
What is the InChIKey of N'-amino-3-fluoro-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenecarboximidamide?
The InChIKey is NZMUSFWCDIQXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5O/c16-12-8-10(13(17)20-18)6-7-11(12)15-19-14(21-22-15)9-4-2-1-3-5-9/h1-8H,18H2,(H2,17,20).
What are the key properties of N'-amino-3-fluoro-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenecarboximidamide?
N'-amino-3-fluoro-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenecarboximidamide has a molecular weight of 297.29 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-3-fluoro-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenecarboximidamide is sourced from PubChem (CID 143438229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).