4-iodo-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine

C10H11IN4O — CID 106393935

IUPAC4-iodo-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine
SMILESNc1cc(I)ccc1NCCc1ncon1
InChIInChI=1S/C10H11IN4O/c11-7-1-2-9(8(12)5-7)13-4-3-10-14-6-16-15-10/h1-2,5-6,13H,3-4,12H2
InChIKeyRGJUFLQJAJQTJQ-UHFFFAOYSA-N
MW330.13 g/mol
LogP1.91
Rot. Bonds4

About 4-iodo-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine

4-iodo-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine (PubChem CID 106393935) has the molecular formula C10H11IN4O and a molecular weight of 330.13 g/mol. Its IUPAC name is 4-iodo-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-iodo-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine
PubChem CID106393935
Molecular FormulaC10H11IN4O
Molecular Weight330.13 g/mol
Exact Mass330.00
IUPAC Name4-iodo-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine
SMILESNc1cc(I)ccc1NCCc1ncon1
InChIInChI=1S/C10H11IN4O/c11-7-1-2-9(8(12)5-7)13-4-3-10-14-6-16-15-10/h1-2,5-6,13H,3-4,12H2
InChIKeyRGJUFLQJAJQTJQ-UHFFFAOYSA-N
XLogP1.91
TPSA76.97 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 ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-5-iodo-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine
CID 106394130
2-chloro-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,4-diamine
CID 106394049
3-fluoro-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine
CID 106394045
4-fluoro-1-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine
CID 106393220
3,5-difluoro-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine
CID 106394020
4-methyl-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,3-diamine
CID 106394127
4-amino-N-methyl-3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzamide
CID 106393963
2-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethyl)aniline
CID 106404686
1-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-iodobenzene-1,2-diamine
CID 66066056
3-methylsulfonyl-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine
CID 106394075
2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridin-4-amine
CID 106404416
2-methyl-4-nitro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]aniline
CID 106404427

Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine?
The IUPAC name of 4-iodo-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine (CID 106393935) is 4-iodo-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine.
What is the SMILES notation for 4-iodo-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine?
The canonical SMILES for 4-iodo-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine is Nc1cc(I)ccc1NCCc1ncon1.
What is the InChIKey of 4-iodo-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine?
The InChIKey is RGJUFLQJAJQTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN4O/c11-7-1-2-9(8(12)5-7)13-4-3-10-14-6-16-15-10/h1-2,5-6,13H,3-4,12H2.
What are the key properties of 4-iodo-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine?
4-iodo-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine has a molecular weight of 330.13 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine is sourced from PubChem (CID 106393935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).