4-amino-N'-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-1,2,5-oxadiazole-3-carboximidamide

C10H10N6O2 — CID 21214173

IUPAC4-amino-N'-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-1,2,5-oxadiazole-3-carboximidamide
SMILESN/C(=N\N=C/C=C/c1ccco1)c1nonc1N
InChIInChI=1S/C10H10N6O2/c11-9(8-10(12)16-18-15-8)14-13-5-1-3-7-4-2-6-17-7/h1-6H,(H2,11,14)(H2,12,16)/b3-1+,13-5?
InChIKeyUZSVPZVTZRXXFL-ZQGBXITQSA-N
MW246.23 g/mol
LogP0.65
Rot. Bonds4

About 4-amino-N'-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-1,2,5-oxadiazole-3-carboximidamide

4-amino-N'-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 21214173) has the molecular formula C10H10N6O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is 4-amino-N'-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound Name4-amino-N'-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-1,2,5-oxadiazole-3-carboximidamide
PubChem CID21214173
Molecular FormulaC10H10N6O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Name4-amino-N'-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-1,2,5-oxadiazole-3-carboximidamide
SMILESN/C(=N\N=C/C=C/c1ccco1)c1nonc1N
InChIInChI=1S/C10H10N6O2/c11-9(8-10(12)16-18-15-8)14-13-5-1-3-7-4-2-6-17-7/h1-6H,(H2,11,14)(H2,12,16)/b3-1+,13-5?
InChIKeyUZSVPZVTZRXXFL-ZQGBXITQSA-N
XLogP0.65
TPSA128.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_imine_B(3)', '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

N'-[3-(furan-2-yl)prop-2-enylideneamino]benzenecarboximidamide
CID 70171441
4-amino-N'-[(4-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 2841390
4-amino-N'-[(E)-(5-bromofuran-2-yl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 131666085
4-amino-N'-[(4-fluorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 4068250
4-amino-N'-[(4-ethylphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 43834602
4-amino-N'-[(3,4-dihydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 135601214
4-amino-N'-[(E)-(3-phenoxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 134080594
4-amino-N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 6850962
4-amino-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide;hydrate
CID 137272272
N-[3-(furan-2-yl)prop-2-enylideneamino]pyridine-4-carboxamide
CID 2853290
N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-4-carboxamide
CID 6893827
4-amino-N'-[[2-(cyanomethoxy)phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 91945235

Frequently Asked Questions

What is the IUPAC name of 4-amino-N'-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of 4-amino-N'-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-1,2,5-oxadiazole-3-carboximidamide (CID 21214173) is 4-amino-N'-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for 4-amino-N'-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for 4-amino-N'-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-1,2,5-oxadiazole-3-carboximidamide is N/C(=N\N=C/C=C/c1ccco1)c1nonc1N.
What is the InChIKey of 4-amino-N'-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is UZSVPZVTZRXXFL-ZQGBXITQSA-N. The full InChI is InChI=1S/C10H10N6O2/c11-9(8-10(12)16-18-15-8)14-13-5-1-3-7-4-2-6-17-7/h1-6H,(H2,11,14)(H2,12,16)/b3-1+,13-5?.
What are the key properties of 4-amino-N'-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-1,2,5-oxadiazole-3-carboximidamide?
4-amino-N'-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 246.23 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 21214173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).