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

C15H19IN2O — CID 65187027

IUPAC3-[5-(3-iodophenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNCCCc1ncc(-c2cccc(I)c2)o1
InChIInChI=1S/C15H19IN2O/c1-2-8-17-9-4-7-15-18-11-14(19-15)12-5-3-6-13(16)10-12/h3,5-6,10-11,17H,2,4,7-9H2,1H3
InChIKeyUWFHEYBBGSNMBG-UHFFFAOYSA-N
MW370.23 g/mol
LogP3.88
Rot. Bonds7

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

3-[5-(3-iodophenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine (PubChem CID 65187027) has the molecular formula C15H19IN2O and a molecular weight of 370.23 g/mol. Its IUPAC name is 3-[5-(3-iodophenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(3-iodophenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
PubChem CID65187027
Molecular FormulaC15H19IN2O
Molecular Weight370.23 g/mol
Exact Mass370.05
IUPAC Name3-[5-(3-iodophenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNCCCc1ncc(-c2cccc(I)c2)o1
InChIInChI=1S/C15H19IN2O/c1-2-8-17-9-4-7-15-18-11-14(19-15)12-5-3-6-13(16)10-12/h3,5-6,10-11,17H,2,4,7-9H2,1H3
InChIKeyUWFHEYBBGSNMBG-UHFFFAOYSA-N
XLogP3.88
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.23
LogP ≤ 53.88
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

3-[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65186872
3-[5-(4-bromo-3-fluorophenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65187021
N-propyl-3-[5-(3,4,5-trifluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65187510
1-[5-(3-iodophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 65178557
3-[5-(5-ethylfuran-2-yl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 79083793
N-[2-[5-(3-iodophenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182015
N-[2-[5-(3-nitrophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65182866
N-[2-[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183365
N-[[5-(3-iodophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
CID 65183731
N-[2-(5-naphthalen-2-yl-1,3-oxazol-2-yl)ethyl]propan-1-amine
CID 65183258
3-[5-(3-chloro-2-methylphenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 107100477
3-[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 81461014

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-iodophenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine?
The IUPAC name of 3-[5-(3-iodophenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine (CID 65187027) is 3-[5-(3-iodophenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 3-[5-(3-iodophenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine?
The canonical SMILES for 3-[5-(3-iodophenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine is CCCNCCCc1ncc(-c2cccc(I)c2)o1.
What is the InChIKey of 3-[5-(3-iodophenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine?
The InChIKey is UWFHEYBBGSNMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19IN2O/c1-2-8-17-9-4-7-15-18-11-14(19-15)12-5-3-6-13(16)10-12/h3,5-6,10-11,17H,2,4,7-9H2,1H3.
What are the key properties of 3-[5-(3-iodophenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine?
3-[5-(3-iodophenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine has a molecular weight of 370.23 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-iodophenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 65187027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).