3-[5-(2-iodophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine

C13H15IN2O — CID 65186809

IUPAC3-[5-(2-iodophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
SMILESCNCCCc1ncc(-c2ccccc2I)o1
InChIInChI=1S/C13H15IN2O/c1-15-8-4-7-13-16-9-12(17-13)10-5-2-3-6-11(10)14/h2-3,5-6,9,15H,4,7-8H2,1H3
InChIKeySPWRUBTTWZSASP-UHFFFAOYSA-N
MW342.18 g/mol
LogP3.10
Rot. Bonds5

About 3-[5-(2-iodophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine

3-[5-(2-iodophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine (PubChem CID 65186809) has the molecular formula C13H15IN2O and a molecular weight of 342.18 g/mol. Its IUPAC name is 3-[5-(2-iodophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(2-iodophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
PubChem CID65186809
Molecular FormulaC13H15IN2O
Molecular Weight342.18 g/mol
Exact Mass342.02
IUPAC Name3-[5-(2-iodophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
SMILESCNCCCc1ncc(-c2ccccc2I)o1
InChIInChI=1S/C13H15IN2O/c1-15-8-4-7-13-16-9-12(17-13)10-5-2-3-6-11(10)14/h2-3,5-6,9,15H,4,7-8H2,1H3
InChIKeySPWRUBTTWZSASP-UHFFFAOYSA-N
XLogP3.10
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[5-(2-iodophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65183054
[5-(2-iodophenyl)-1,3-oxazol-2-yl]methanamine
CID 65178572
3-[5-(5-chloro-2-methylphenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 82891205
3-[5-(2,4-dibromophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 107941921
N-methyl-3-[5-(2-methyl-3-nitrophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65182043
3-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 65187006
N-methyl-3-[5-(1-phenylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine
CID 65186852
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 65187513
3-[5-(2-ethoxyphenyl)-1,3-oxazol-2-yl]-N-ethylpropan-1-amine
CID 65187014
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[3-(methylamino)propyl]propanamide;dihydrochloride
CID 119429994
N-methyl-3-[5-(1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine
CID 65187194
3-[5-(5-fluoro-2-nitrophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 65186900

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-iodophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[5-(2-iodophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine (CID 65186809) is 3-[5-(2-iodophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[5-(2-iodophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[5-(2-iodophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine is CNCCCc1ncc(-c2ccccc2I)o1.
What is the InChIKey of 3-[5-(2-iodophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine?
The InChIKey is SPWRUBTTWZSASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IN2O/c1-15-8-4-7-13-16-9-12(17-13)10-5-2-3-6-11(10)14/h2-3,5-6,9,15H,4,7-8H2,1H3.
What are the key properties of 3-[5-(2-iodophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine?
3-[5-(2-iodophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine has a molecular weight of 342.18 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-iodophenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 65186809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).