N-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]ethanamine

C13H15FN2O — CID 65179112

IUPACN-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]ethanamine
SMILESCCNCc1ncc(-c2ccc(C)c(F)c2)o1
InChIInChI=1S/C13H15FN2O/c1-3-15-8-13-16-7-12(17-13)10-5-4-9(2)11(14)6-10/h4-7,15H,3,8H2,1-2H3
InChIKeyJPGMXPZUCLYOAX-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.90
Rot. Bonds4

About N-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]ethanamine

N-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]ethanamine (PubChem CID 65179112) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is N-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]ethanamine
PubChem CID65179112
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC NameN-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]ethanamine
SMILESCCNCc1ncc(-c2ccc(C)c(F)c2)o1
InChIInChI=1S/C13H15FN2O/c1-3-15-8-13-16-7-12(17-13)10-5-4-9(2)11(14)6-10/h4-7,15H,3,8H2,1-2H3
InChIKeyJPGMXPZUCLYOAX-UHFFFAOYSA-N
XLogP2.90
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]ethanamine (CID 65179112) is N-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]ethanamine is CCNCc1ncc(-c2ccc(C)c(F)c2)o1.
What is the InChIKey of N-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]ethanamine?
The InChIKey is JPGMXPZUCLYOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-3-15-8-13-16-7-12(17-13)10-5-4-9(2)11(14)6-10/h4-7,15H,3,8H2,1-2H3.
What are the key properties of N-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]ethanamine?
N-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]ethanamine has a molecular weight of 234.27 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 65179112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).