2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-4-iodophenol

C10H10IN3O2 — CID 136886124

IUPAC2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-4-iodophenol
SMILESCN(C)c1noc(-c2cc(I)ccc2O)n1
InChIInChI=1S/C10H10IN3O2/c1-14(2)10-12-9(16-13-10)7-5-6(11)3-4-8(7)15/h3-5,15H,1-2H3
InChIKeyCNYRDODAAXROGD-UHFFFAOYSA-N
MW331.11 g/mol
LogP2.11
Rot. Bonds2

About 2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-4-iodophenol

2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-4-iodophenol (PubChem CID 136886124) has the molecular formula C10H10IN3O2 and a molecular weight of 331.11 g/mol. Its IUPAC name is 2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-4-iodophenol.

Molecular Properties

Compound Name2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-4-iodophenol
PubChem CID136886124
Molecular FormulaC10H10IN3O2
Molecular Weight331.11 g/mol
Exact Mass330.98
IUPAC Name2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-4-iodophenol
SMILESCN(C)c1noc(-c2cc(I)ccc2O)n1
InChIInChI=1S/C10H10IN3O2/c1-14(2)10-12-9(16-13-10)7-5-6(11)3-4-8(7)15/h3-5,15H,1-2H3
InChIKeyCNYRDODAAXROGD-UHFFFAOYSA-N
XLogP2.11
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.11
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol
CID 136885967
2-chloro-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]phenol
CID 136932329
4-iodo-2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136886110
2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol
CID 136886075
4-iodo-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136886084
4-iodo-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136885977
2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4-iodophenol
CID 136886118
2-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol
CID 136886108
2-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol
CID 136886099
4-iodo-2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136886042
2-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol
CID 136886052
5-(2-aminophenyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 115747800

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-4-iodophenol?
The IUPAC name of 2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-4-iodophenol (CID 136886124) is 2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-4-iodophenol.
What is the SMILES notation for 2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-4-iodophenol?
The canonical SMILES for 2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-4-iodophenol is CN(C)c1noc(-c2cc(I)ccc2O)n1.
What is the InChIKey of 2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-4-iodophenol?
The InChIKey is CNYRDODAAXROGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10IN3O2/c1-14(2)10-12-9(16-13-10)7-5-6(11)3-4-8(7)15/h3-5,15H,1-2H3.
What are the key properties of 2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-4-iodophenol?
2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-4-iodophenol has a molecular weight of 331.11 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-4-iodophenol is sourced from PubChem (CID 136886124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).