5-(3-iodo-1H-inden-5-yl)-N-methyl-1,3,4-oxadiazol-2-amine

C12H10IN3O — CID 161484949

IUPAC5-(3-iodo-1H-inden-5-yl)-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCNc1nnc(-c2ccc3c(c2)C(I)=CC3)o1
InChIInChI=1S/C12H10IN3O/c1-14-12-16-15-11(17-12)8-3-2-7-4-5-10(13)9(7)6-8/h2-3,5-6H,4H2,1H3,(H,14,16)
InChIKeyPYLVVLXUEPJBKI-UHFFFAOYSA-N
MW339.14 g/mol
LogP3.11
Rot. Bonds2

About 5-(3-iodo-1H-inden-5-yl)-N-methyl-1,3,4-oxadiazol-2-amine

5-(3-iodo-1H-inden-5-yl)-N-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 161484949) has the molecular formula C12H10IN3O and a molecular weight of 339.14 g/mol. Its IUPAC name is 5-(3-iodo-1H-inden-5-yl)-N-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(3-iodo-1H-inden-5-yl)-N-methyl-1,3,4-oxadiazol-2-amine
PubChem CID161484949
Molecular FormulaC12H10IN3O
Molecular Weight339.14 g/mol
Exact Mass338.99
IUPAC Name5-(3-iodo-1H-inden-5-yl)-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCNc1nnc(-c2ccc3c(c2)C(I)=CC3)o1
InChIInChI=1S/C12H10IN3O/c1-14-12-16-15-11(17-12)8-3-2-7-4-5-10(13)9(7)6-8/h2-3,5-6H,4H2,1H3,(H,14,16)
InChIKeyPYLVVLXUEPJBKI-UHFFFAOYSA-N
XLogP3.11
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.14
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(3-iodo-1H-inden-5-yl)-N-methyl-1,3,4-oxadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-iodo-1H-inden-5-yl)-N-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(3-iodo-1H-inden-5-yl)-N-methyl-1,3,4-oxadiazol-2-amine (CID 161484949) is 5-(3-iodo-1H-inden-5-yl)-N-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(3-iodo-1H-inden-5-yl)-N-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(3-iodo-1H-inden-5-yl)-N-methyl-1,3,4-oxadiazol-2-amine is CNc1nnc(-c2ccc3c(c2)C(I)=CC3)o1.
What is the InChIKey of 5-(3-iodo-1H-inden-5-yl)-N-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is PYLVVLXUEPJBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10IN3O/c1-14-12-16-15-11(17-12)8-3-2-7-4-5-10(13)9(7)6-8/h2-3,5-6H,4H2,1H3,(H,14,16).
What are the key properties of 5-(3-iodo-1H-inden-5-yl)-N-methyl-1,3,4-oxadiazol-2-amine?
5-(3-iodo-1H-inden-5-yl)-N-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 339.14 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-iodo-1H-inden-5-yl)-N-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 161484949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).