5-iodo-N-methyl-1,3,4-oxadiazol-2-amine

C3H4IN3O — CID 146438012

IUPAC5-iodo-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCNc1nnc(I)o1
InChIInChI=1S/C3H4IN3O/c1-5-3-7-6-2(4)8-3/h1H3,(H,5,7)
InChIKeyRORFLODZXHSJSD-UHFFFAOYSA-N
MW224.99 g/mol
LogP0.72
Rot. Bonds1

About 5-iodo-N-methyl-1,3,4-oxadiazol-2-amine

5-iodo-N-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 146438012) has the molecular formula C3H4IN3O and a molecular weight of 224.99 g/mol. Its IUPAC name is 5-iodo-N-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-iodo-N-methyl-1,3,4-oxadiazol-2-amine
PubChem CID146438012
Molecular FormulaC3H4IN3O
Molecular Weight224.99 g/mol
Exact Mass224.94
IUPAC Name5-iodo-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCNc1nnc(I)o1
InChIInChI=1S/C3H4IN3O/c1-5-3-7-6-2(4)8-3/h1H3,(H,5,7)
InChIKeyRORFLODZXHSJSD-UHFFFAOYSA-N
XLogP0.72
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.99
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethoxy-N-methyl-1,3,4-oxadiazol-2-amine
CID 55286084
5-(3-iodo-1H-inden-5-yl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 161484949
5-[(1S)-1-amino-2-methylpropyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 134256929
5-(dimethylamino)-2-(methylamino)-1,3,4-oxadiazine-6-thione
CID 56643119
5-(2-chlorophenyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 83884740
2-iodo-5-(3-methylbutan-2-yl)-1,3,4-oxadiazole
CID 114771691
N-methyl-5-(oxan-2-yl)-1,3,4-oxadiazol-2-amine
CID 166247490
5-iodo-1,3,4-oxadiazole-2-carbonitrile
CID 118983472
2-(3,4-dimethoxyphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771479
5-[(2S,5S)-5-(chloromethyl)oxolan-2-yl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 125456872
2-iodo-5-(2-methoxyethyl)-1,3,4-oxadiazole
CID 114771639
2-(3-ethylthiophen-2-yl)-5-iodo-1,3,4-oxadiazole
CID 114771810

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-iodo-N-methyl-1,3,4-oxadiazol-2-amine (CID 146438012) is 5-iodo-N-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-iodo-N-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-iodo-N-methyl-1,3,4-oxadiazol-2-amine is CNc1nnc(I)o1.
What is the InChIKey of 5-iodo-N-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is RORFLODZXHSJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4IN3O/c1-5-3-7-6-2(4)8-3/h1H3,(H,5,7).
What are the key properties of 5-iodo-N-methyl-1,3,4-oxadiazol-2-amine?
5-iodo-N-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 224.99 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 146438012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).