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

C11H11IN2O — CID 65178557

IUPAC1-[5-(3-iodophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
SMILESCNCc1ncc(-c2cccc(I)c2)o1
InChIInChI=1S/C11H11IN2O/c1-13-7-11-14-6-10(15-11)8-3-2-4-9(12)5-8/h2-6,13H,7H2,1H3
InChIKeyDMVUIHHRXTXFSE-UHFFFAOYSA-N
MW314.13 g/mol
LogP2.67
Rot. Bonds3

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

1-[5-(3-iodophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine (PubChem CID 65178557) has the molecular formula C11H11IN2O and a molecular weight of 314.13 g/mol. Its IUPAC name is 1-[5-(3-iodophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(3-iodophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
PubChem CID65178557
Molecular FormulaC11H11IN2O
Molecular Weight314.13 g/mol
Exact Mass313.99
IUPAC Name1-[5-(3-iodophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
SMILESCNCc1ncc(-c2cccc(I)c2)o1
InChIInChI=1S/C11H11IN2O/c1-13-7-11-14-6-10(15-11)8-3-2-4-9(12)5-8/h2-6,13H,7H2,1H3
InChIKeyDMVUIHHRXTXFSE-UHFFFAOYSA-N
XLogP2.67
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.13
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(3-iodophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
CID 65183731
3-[5-(3-iodophenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65187027
N-[2-[5-(3-iodophenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182015
1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 3049275
N-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 54516373
1-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 107994677
1-[5-(3-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 82879726
1-[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 115354582
1-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 65179211
N-ethyl-1-[5-(3-iodophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65181501
N-methyl-1-[5-(2,3,4,5,6-pentafluorophenyl)-1,3-oxazol-2-yl]methanamine
CID 65179268
N-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65184141

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-iodophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(3-iodophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine (CID 65178557) is 1-[5-(3-iodophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(3-iodophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(3-iodophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine is CNCc1ncc(-c2cccc(I)c2)o1.
What is the InChIKey of 1-[5-(3-iodophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine?
The InChIKey is DMVUIHHRXTXFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN2O/c1-13-7-11-14-6-10(15-11)8-3-2-4-9(12)5-8/h2-6,13H,7H2,1H3.
What are the key properties of 1-[5-(3-iodophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine?
1-[5-(3-iodophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine has a molecular weight of 314.13 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-iodophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 65178557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).