N'-hydrazinyl-2-[4-(5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-yl)phenyl]-6-sulfamoylbenzenecarboximidamide

C19H22N8O3S — CID 144893299

IUPACN'-hydrazinyl-2-[4-(5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-yl)phenyl]-6-sulfamoylbenzenecarboximidamide
SMILESNN/N=C(\N)c1c(-c2ccc(-c3noc(C4CCNC4)n3)cc2)cccc1S(N)(=O)=O
InChIInChI=1S/C19H22N8O3S/c20-17(25-27-21)16-14(2-1-3-15(16)31(22,28)29)11-4-6-12(7-5-11)18-24-19(30-26-18)13-8-9-23-10-13/h1-7,13,23,27H,8-10,21H2,(H2,20,25)(H2,22,28,29)
InChIKeyFGHCTEHCKNYJEM-UHFFFAOYSA-N
MW442.51 g/mol
LogP0.21
Rot. Bonds6

About N'-hydrazinyl-2-[4-(5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-yl)phenyl]-6-sulfamoylbenzenecarboximidamide

N'-hydrazinyl-2-[4-(5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-yl)phenyl]-6-sulfamoylbenzenecarboximidamide (PubChem CID 144893299) has the molecular formula C19H22N8O3S and a molecular weight of 442.51 g/mol. Its IUPAC name is N'-hydrazinyl-2-[4-(5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-yl)phenyl]-6-sulfamoylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydrazinyl-2-[4-(5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-yl)phenyl]-6-sulfamoylbenzenecarboximidamide
PubChem CID144893299
Molecular FormulaC19H22N8O3S
Molecular Weight442.51 g/mol
Exact Mass442.15
IUPAC NameN'-hydrazinyl-2-[4-(5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-yl)phenyl]-6-sulfamoylbenzenecarboximidamide
SMILESNN/N=C(\N)c1c(-c2ccc(-c3noc(C4CCNC4)n3)cc2)cccc1S(N)(=O)=O
InChIInChI=1S/C19H22N8O3S/c20-17(25-27-21)16-14(2-1-3-15(16)31(22,28)29)11-4-6-12(7-5-11)18-24-19(30-26-18)13-8-9-23-10-13/h1-7,13,23,27H,8-10,21H2,(H2,20,25)(H2,22,28,29)
InChIKeyFGHCTEHCKNYJEM-UHFFFAOYSA-N
XLogP0.21
TPSA187.54 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 50.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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

3-(4-methylsulfonylphenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120841276
methyl 4-[5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]benzoate;hydrochloride
CID 120841376
3-(4-methoxyphenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120838044
3-pyridin-3-yl-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 94917646
N-methyl-5-[5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
CID 155022146
3-(2-fluorophenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 94917759
N-octyl-4-[5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]benzamide
CID 154661041
N-butyl-4-[5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]benzamide
CID 154660711
3-(3,4-difluorophenyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 94917701
3-(4-decylphenyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 155012950
5-[(3R)-pyrrolidin-3-yl]-3-(4-undecylphenyl)-1,2,4-oxadiazole
CID 154661001
3-(4-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 29039427

Frequently Asked Questions

What is the IUPAC name of N'-hydrazinyl-2-[4-(5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-yl)phenyl]-6-sulfamoylbenzenecarboximidamide?
The IUPAC name of N'-hydrazinyl-2-[4-(5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-yl)phenyl]-6-sulfamoylbenzenecarboximidamide (CID 144893299) is N'-hydrazinyl-2-[4-(5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-yl)phenyl]-6-sulfamoylbenzenecarboximidamide.
What is the SMILES notation for N'-hydrazinyl-2-[4-(5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-yl)phenyl]-6-sulfamoylbenzenecarboximidamide?
The canonical SMILES for N'-hydrazinyl-2-[4-(5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-yl)phenyl]-6-sulfamoylbenzenecarboximidamide is NN/N=C(\N)c1c(-c2ccc(-c3noc(C4CCNC4)n3)cc2)cccc1S(N)(=O)=O.
What is the InChIKey of N'-hydrazinyl-2-[4-(5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-yl)phenyl]-6-sulfamoylbenzenecarboximidamide?
The InChIKey is FGHCTEHCKNYJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O3S/c20-17(25-27-21)16-14(2-1-3-15(16)31(22,28)29)11-4-6-12(7-5-11)18-24-19(30-26-18)13-8-9-23-10-13/h1-7,13,23,27H,8-10,21H2,(H2,20,25)(H2,22,28,29).
What are the key properties of N'-hydrazinyl-2-[4-(5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-yl)phenyl]-6-sulfamoylbenzenecarboximidamide?
N'-hydrazinyl-2-[4-(5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-yl)phenyl]-6-sulfamoylbenzenecarboximidamide has a molecular weight of 442.51 g/mol, XLogP of 0.21, 6 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydrazinyl-2-[4-(5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-yl)phenyl]-6-sulfamoylbenzenecarboximidamide is sourced from PubChem (CID 144893299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).