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

C10H9ClIN3O — CID 106959118

IUPAC5-(2-chloroethyl)-N-(2-iodophenyl)-1,3,4-oxadiazol-2-amine
SMILESClCCc1nnc(Nc2ccccc2I)o1
InChIInChI=1S/C10H9ClIN3O/c11-6-5-9-14-15-10(16-9)13-8-4-2-1-3-7(8)12/h1-4H,5-6H2,(H,13,15)
InChIKeyFWVNHLZMWBRTRX-UHFFFAOYSA-N
MW349.56 g/mol
LogP3.20
Rot. Bonds4

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

5-(2-chloroethyl)-N-(2-iodophenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106959118) has the molecular formula C10H9ClIN3O and a molecular weight of 349.56 g/mol. Its IUPAC name is 5-(2-chloroethyl)-N-(2-iodophenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-chloroethyl)-N-(2-iodophenyl)-1,3,4-oxadiazol-2-amine
PubChem CID106959118
Molecular FormulaC10H9ClIN3O
Molecular Weight349.56 g/mol
Exact Mass348.95
IUPAC Name5-(2-chloroethyl)-N-(2-iodophenyl)-1,3,4-oxadiazol-2-amine
SMILESClCCc1nnc(Nc2ccccc2I)o1
InChIInChI=1S/C10H9ClIN3O/c11-6-5-9-14-15-10(16-9)13-8-4-2-1-3-7(8)12/h1-4H,5-6H2,(H,13,15)
InChIKeyFWVNHLZMWBRTRX-UHFFFAOYSA-N
XLogP3.20
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.56
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethyl)-N-(2-iodophenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-chloroethyl)-N-(2-iodophenyl)-1,3,4-oxadiazol-2-amine (CID 106959118) is 5-(2-chloroethyl)-N-(2-iodophenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-chloroethyl)-N-(2-iodophenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-chloroethyl)-N-(2-iodophenyl)-1,3,4-oxadiazol-2-amine is ClCCc1nnc(Nc2ccccc2I)o1.
What is the InChIKey of 5-(2-chloroethyl)-N-(2-iodophenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is FWVNHLZMWBRTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClIN3O/c11-6-5-9-14-15-10(16-9)13-8-4-2-1-3-7(8)12/h1-4H,5-6H2,(H,13,15).
What are the key properties of 5-(2-chloroethyl)-N-(2-iodophenyl)-1,3,4-oxadiazol-2-amine?
5-(2-chloroethyl)-N-(2-iodophenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 349.56 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethyl)-N-(2-iodophenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106959118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).