N-[[3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]ethanamine

C15H19FN2O3 — CID 115953321

IUPACN-[[3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(F)c1OCc1cc(COC)on1
InChIInChI=1S/C15H19FN2O3/c1-3-17-8-11-5-4-6-14(16)15(11)20-9-12-7-13(10-19-2)21-18-12/h4-7,17H,3,8-10H2,1-2H3
InChIKeyJSZNBJJABFZPPB-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.65
Rot. Bonds8

About N-[[3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]ethanamine

N-[[3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]ethanamine (PubChem CID 115953321) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is N-[[3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]ethanamine
PubChem CID115953321
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC NameN-[[3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(F)c1OCc1cc(COC)on1
InChIInChI=1S/C15H19FN2O3/c1-3-17-8-11-5-4-6-14(16)15(11)20-9-12-7-13(10-19-2)21-18-12/h4-7,17H,3,8-10H2,1-2H3
InChIKeyJSZNBJJABFZPPB-UHFFFAOYSA-N
XLogP2.65
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine
CID 112608092
1-[3-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]-N-methylmethanamine
CID 66157422
N-[[3-fluoro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 112609536
N-[[3-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 115953307
N-[[3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 112609097
N-[[3-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 112608993
N-[[2-[(2,3-difluorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 115953355
N-[[3-fluoro-2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 112609648
N-[[3-fluoro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 112609567
N-[[3-fluoro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 115953311
methyl 2-[2-(ethylaminomethyl)-6-fluorophenoxy]acetate
CID 112609552
N-[[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 115953378

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]ethanamine (CID 115953321) is N-[[3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]ethanamine is CCNCc1cccc(F)c1OCc1cc(COC)on1.
What is the InChIKey of N-[[3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]ethanamine?
The InChIKey is JSZNBJJABFZPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-3-17-8-11-5-4-6-14(16)15(11)20-9-12-7-13(10-19-2)21-18-12/h4-7,17H,3,8-10H2,1-2H3.
What are the key properties of N-[[3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]ethanamine?
N-[[3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]ethanamine has a molecular weight of 294.33 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 115953321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).