1-[5-(2-fluoro-6-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylethanamine

C13H15FN2O2 — CID 65432346

IUPAC1-[5-(2-fluoro-6-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1ncc(-c2c(F)cccc2OC)o1
InChIInChI=1S/C13H15FN2O2/c1-8(15-2)13-16-7-11(18-13)12-9(14)5-4-6-10(12)17-3/h4-8,15H,1-3H3
InChIKeyBPPIEOCKSYYISX-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.77
Rot. Bonds4

About 1-[5-(2-fluoro-6-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylethanamine

1-[5-(2-fluoro-6-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylethanamine (PubChem CID 65432346) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 1-[5-(2-fluoro-6-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-(2-fluoro-6-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylethanamine
PubChem CID65432346
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name1-[5-(2-fluoro-6-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1ncc(-c2c(F)cccc2OC)o1
InChIInChI=1S/C13H15FN2O2/c1-8(15-2)13-16-7-11(18-13)12-9(14)5-4-6-10(12)17-3/h4-8,15H,1-3H3
InChIKeyBPPIEOCKSYYISX-UHFFFAOYSA-N
XLogP2.77
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2-bromo-6-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 114561189
2-(1-chloroethyl)-5-(2,6-dimethoxyphenyl)-1,3-oxazole
CID 65179410
N-methyl-1-[5-(2,4,5-trimethylfuran-3-yl)-1,3-oxazol-2-yl]ethanamine
CID 65181435
N-methyl-1-(5-phenyl-1,3-oxazol-2-yl)ethanamine
CID 65181733
1-[5-(2-bromo-3-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 107984133
1-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65181487
1-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 107994722
1-[5-(4-methoxythiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 81129226
1-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 81104964
1-[5-(5-bromo-2-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65309801
1-[2-fluoro-6-[(6-methyl-3-pyridinyl)oxy]phenyl]-N-methylethanamine
CID 62074641
1-(4-fluoro-3-methoxyphenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine
CID 103893791

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluoro-6-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylethanamine?
The IUPAC name of 1-[5-(2-fluoro-6-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylethanamine (CID 65432346) is 1-[5-(2-fluoro-6-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[5-(2-fluoro-6-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[5-(2-fluoro-6-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylethanamine is CNC(C)c1ncc(-c2c(F)cccc2OC)o1.
What is the InChIKey of 1-[5-(2-fluoro-6-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylethanamine?
The InChIKey is BPPIEOCKSYYISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-8(15-2)13-16-7-11(18-13)12-9(14)5-4-6-10(12)17-3/h4-8,15H,1-3H3.
What are the key properties of 1-[5-(2-fluoro-6-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylethanamine?
1-[5-(2-fluoro-6-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylethanamine has a molecular weight of 250.27 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluoro-6-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 65432346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).