5-(2-chlorofuran-3-yl)-4-iodo-1,2-oxazol-3-amine

C7H4ClIN2O2 — CID 106690691

IUPAC5-(2-chlorofuran-3-yl)-4-iodo-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccoc2Cl)c1I
InChIInChI=1S/C7H4ClIN2O2/c8-6-3(1-2-12-6)5-4(9)7(10)11-13-5/h1-2H,(H2,10,11)
InChIKeyFCOOMWBIFIVBNO-UHFFFAOYSA-N
MW310.48 g/mol
LogP2.77
Rot. Bonds1

About 5-(2-chlorofuran-3-yl)-4-iodo-1,2-oxazol-3-amine

5-(2-chlorofuran-3-yl)-4-iodo-1,2-oxazol-3-amine (PubChem CID 106690691) has the molecular formula C7H4ClIN2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is 5-(2-chlorofuran-3-yl)-4-iodo-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-chlorofuran-3-yl)-4-iodo-1,2-oxazol-3-amine
PubChem CID106690691
Molecular FormulaC7H4ClIN2O2
Molecular Weight310.48 g/mol
Exact Mass309.90
IUPAC Name5-(2-chlorofuran-3-yl)-4-iodo-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccoc2Cl)c1I
InChIInChI=1S/C7H4ClIN2O2/c8-6-3(1-2-12-6)5-4(9)7(10)11-13-5/h1-2H,(H2,10,11)
InChIKeyFCOOMWBIFIVBNO-UHFFFAOYSA-N
XLogP2.77
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 52.77
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-(2-chlorofuran-3-yl)-4-propyl-1,2-oxazol-3-amine
CID 106690685
4-(4-bromophenyl)-5-(2-chlorofuran-3-yl)-1,2-oxazol-3-amine
CID 106690627
5-(2,4-dichlorophenyl)-4-iodo-1,2-oxazol-3-amine
CID 79555967
5-(4-chloro-2-fluorophenyl)-4-iodo-1,2-oxazol-3-amine
CID 79555471
5-(2-chlorofuran-3-yl)-4-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine
CID 106690651
5-(4-fluoronaphthalen-1-yl)-4-iodo-1,2-oxazol-3-amine
CID 114088309
4-iodo-5-(4-methylphenyl)-1,2-oxazol-3-amine
CID 79556130
5-(3-bromo-2-methylphenyl)-4-iodo-1,2-oxazol-3-amine
CID 79556789
5-(4-bromophenyl)-4-iodo-1,2-oxazol-3-amine
CID 79556783
5-(4-chloro-2-nitrophenyl)-4-iodo-1,2-oxazol-3-amine
CID 79556466
4-methyl-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine
CID 66200401
4-iodo-5-(3-iodophenyl)-1,2-oxazol-3-amine
CID 79556464

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorofuran-3-yl)-4-iodo-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-chlorofuran-3-yl)-4-iodo-1,2-oxazol-3-amine (CID 106690691) is 5-(2-chlorofuran-3-yl)-4-iodo-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-chlorofuran-3-yl)-4-iodo-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-chlorofuran-3-yl)-4-iodo-1,2-oxazol-3-amine is Nc1noc(-c2ccoc2Cl)c1I.
What is the InChIKey of 5-(2-chlorofuran-3-yl)-4-iodo-1,2-oxazol-3-amine?
The InChIKey is FCOOMWBIFIVBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClIN2O2/c8-6-3(1-2-12-6)5-4(9)7(10)11-13-5/h1-2H,(H2,10,11).
What are the key properties of 5-(2-chlorofuran-3-yl)-4-iodo-1,2-oxazol-3-amine?
5-(2-chlorofuran-3-yl)-4-iodo-1,2-oxazol-3-amine has a molecular weight of 310.48 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorofuran-3-yl)-4-iodo-1,2-oxazol-3-amine is sourced from PubChem (CID 106690691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).