N-(2-iodophenyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine

C10H11IN4O — CID 106967012

IUPACN-(2-iodophenyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(Nc2ccccc2I)o1
InChIInChI=1S/C10H11IN4O/c1-12-6-9-14-15-10(16-9)13-8-5-3-2-4-7(8)11/h2-5,12H,6H2,1H3,(H,13,15)
InChIKeyYEOUBPMNVRWZNK-UHFFFAOYSA-N
MW330.13 g/mol
LogP2.14
Rot. Bonds4

About N-(2-iodophenyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine

N-(2-iodophenyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106967012) has the molecular formula C10H11IN4O and a molecular weight of 330.13 g/mol. Its IUPAC name is N-(2-iodophenyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(2-iodophenyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106967012
Molecular FormulaC10H11IN4O
Molecular Weight330.13 g/mol
Exact Mass330.00
IUPAC NameN-(2-iodophenyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(Nc2ccccc2I)o1
InChIInChI=1S/C10H11IN4O/c1-12-6-9-14-15-10(16-9)13-8-5-3-2-4-7(8)11/h2-5,12H,6H2,1H3,(H,13,15)
InChIKeyYEOUBPMNVRWZNK-UHFFFAOYSA-N
XLogP2.14
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.13
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(2-iodophenyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine (CID 106967012) is N-(2-iodophenyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(2-iodophenyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(2-iodophenyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine is CNCc1nnc(Nc2ccccc2I)o1.
What is the InChIKey of N-(2-iodophenyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is YEOUBPMNVRWZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN4O/c1-12-6-9-14-15-10(16-9)13-8-5-3-2-4-7(8)11/h2-5,12H,6H2,1H3,(H,13,15).
What are the key properties of N-(2-iodophenyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
N-(2-iodophenyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 330.13 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106967012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).