N'-hydroxy-2-methyl-5-phenylfuran-3-carboximidamide

C12H12N2O2 — CID 126969675

IUPACN'-hydroxy-2-methyl-5-phenylfuran-3-carboximidamide
SMILESCc1oc(-c2ccccc2)cc1C(N)=NO
InChIInChI=1S/C12H12N2O2/c1-8-10(12(13)14-15)7-11(16-8)9-5-3-2-4-6-9/h2-7,15H,1H3,(H2,13,14)
InChIKeyKRDREXOMUJNQNK-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.35
Rot. Bonds2

About N'-hydroxy-2-methyl-5-phenylfuran-3-carboximidamide

N'-hydroxy-2-methyl-5-phenylfuran-3-carboximidamide (PubChem CID 126969675) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-5-phenylfuran-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-5-phenylfuran-3-carboximidamide
PubChem CID126969675
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC NameN'-hydroxy-2-methyl-5-phenylfuran-3-carboximidamide
SMILESCc1oc(-c2ccccc2)cc1C(N)=NO
InChIInChI=1S/C12H12N2O2/c1-8-10(12(13)14-15)7-11(16-8)9-5-3-2-4-6-9/h2-7,15H,1H3,(H2,13,14)
InChIKeyKRDREXOMUJNQNK-UHFFFAOYSA-N
XLogP2.35
TPSA71.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N'-hydroxy-2-methyl-5-[4-(trifluoromethoxy)phenyl]furan-3-carboximidamide
CID 126969772
2-methyl-5-phenyl-3-[(Z)-1-phenylprop-1-en-2-yl]furan
CID 173398472
N-(4-carbamoylphenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 17015561
(4-chlorophenyl)-(2-methyl-5-phenylfuran-3-yl)methanone
CID 10827816
5-(4-aminophenyl)-2-methylfuran-3-carboxylic acid
CID 141180065
(6-methoxy-6-oxohexyl) 2-methyl-5-phenylfuran-3-carboxylate
CID 45257319
N-(2-chlorophenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 2742876
N-(4-iodophenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 1340506
N'-hydroxy-5-(3-methylphenyl)furan-2-carboximidamide
CID 54267096
N'-hydroxy-2-propan-2-ylbenzenecarboximidamide
CID 83386252
2-methyl-5-phenylfuran-3-carbaldehyde
CID 2795313
2-methyl-5-phenyl-N-[2-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 16650690

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-5-phenylfuran-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-methyl-5-phenylfuran-3-carboximidamide (CID 126969675) is N'-hydroxy-2-methyl-5-phenylfuran-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-5-phenylfuran-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-methyl-5-phenylfuran-3-carboximidamide is Cc1oc(-c2ccccc2)cc1C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methyl-5-phenylfuran-3-carboximidamide?
The InChIKey is KRDREXOMUJNQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8-10(12(13)14-15)7-11(16-8)9-5-3-2-4-6-9/h2-7,15H,1H3,(H2,13,14).
What are the key properties of N'-hydroxy-2-methyl-5-phenylfuran-3-carboximidamide?
N'-hydroxy-2-methyl-5-phenylfuran-3-carboximidamide has a molecular weight of 216.24 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-5-phenylfuran-3-carboximidamide is sourced from PubChem (CID 126969675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).