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

C14H17IN2O — CID 65183731

IUPACN-[[5-(3-iodophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ncc(-c2cccc(I)c2)o1
InChIInChI=1S/C14H17IN2O/c1-14(2,3)17-9-13-16-8-12(18-13)10-5-4-6-11(15)7-10/h4-8,17H,9H2,1-3H3
InChIKeyFAHMIYSERHGBOS-UHFFFAOYSA-N
MW356.21 g/mol
LogP3.83
Rot. Bonds3

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

N-[[5-(3-iodophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 65183731) has the molecular formula C14H17IN2O and a molecular weight of 356.21 g/mol. Its IUPAC name is N-[[5-(3-iodophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(3-iodophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID65183731
Molecular FormulaC14H17IN2O
Molecular Weight356.21 g/mol
Exact Mass356.04
IUPAC NameN-[[5-(3-iodophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ncc(-c2cccc(I)c2)o1
InChIInChI=1S/C14H17IN2O/c1-14(2,3)17-9-13-16-8-12(18-13)10-5-4-6-11(15)7-10/h4-8,17H,9H2,1-3H3
InChIKeyFAHMIYSERHGBOS-UHFFFAOYSA-N
XLogP3.83
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 53.83
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

1-[5-(3-iodophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 65178557
3-[5-(3-iodophenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65187027
N-[2-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 65182024
N-[2-[5-(3-iodophenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182015
N-ethyl-1-[5-(3-iodophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65181501
N-[[5-(5-ethylfuran-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
CID 79084139
N-[[5-(5-chlorofuran-2-yl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine
CID 106690336
2-methyl-N-[[5-(2,4,6-trimethylphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65184322
N-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 54516373
2-methyl-N-[[5-(4-methylthiophen-3-yl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 79807749
2-methyl-N-[[5-(2,3,4-trifluorophenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 79755992
N-[[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65184286

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-iodophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(3-iodophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine (CID 65183731) is N-[[5-(3-iodophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(3-iodophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(3-iodophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ncc(-c2cccc(I)c2)o1.
What is the InChIKey of N-[[5-(3-iodophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is FAHMIYSERHGBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17IN2O/c1-14(2,3)17-9-13-16-8-12(18-13)10-5-4-6-11(15)7-10/h4-8,17H,9H2,1-3H3.
What are the key properties of N-[[5-(3-iodophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(3-iodophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 356.21 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-iodophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 65183731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).