N-[[3-fluoro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine

C15H20FN3O2 — CID 115953311

IUPACN-[[3-fluoro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(F)c1OCc1nc(C(C)C)no1
InChIInChI=1S/C15H20FN3O2/c1-4-17-8-11-6-5-7-12(16)14(11)20-9-13-18-15(10(2)3)19-21-13/h5-7,10,17H,4,8-9H2,1-3H3
InChIKeyJRNNYTQNKOBVCA-UHFFFAOYSA-N
MW293.34 g/mol
LogP3.02
Rot. Bonds7

About N-[[3-fluoro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine

N-[[3-fluoro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine (PubChem CID 115953311) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is N-[[3-fluoro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-fluoro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
PubChem CID115953311
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC NameN-[[3-fluoro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(F)c1OCc1nc(C(C)C)no1
InChIInChI=1S/C15H20FN3O2/c1-4-17-8-11-6-5-7-12(16)14(11)20-9-13-18-15(10(2)3)19-21-13/h5-7,10,17H,4,8-9H2,1-3H3
InChIKeyJRNNYTQNKOBVCA-UHFFFAOYSA-N
XLogP3.02
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-fluoro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine with MolForge

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Related Compounds

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-[[2-[(2,3-difluorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 115953355
N-[[3-chloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 112609244
N-[[3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]ethanamine
CID 115953321
N-[[3-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 115953319
N-[[3-fluoro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 115953557
N-[[3-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine
CID 115953331
N-[[3-fluoro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 112609567
N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]ethanamine
CID 112609626
N-[[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 115953378
3-[2-(ethylaminomethyl)-6-fluorophenoxy]-2-methylpropanamide
CID 112609547

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-fluoro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine (CID 115953311) is N-[[3-fluoro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-fluoro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-fluoro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine is CCNCc1cccc(F)c1OCc1nc(C(C)C)no1.
What is the InChIKey of N-[[3-fluoro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is JRNNYTQNKOBVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-4-17-8-11-6-5-7-12(16)14(11)20-9-13-18-15(10(2)3)19-21-13/h5-7,10,17H,4,8-9H2,1-3H3.
What are the key properties of N-[[3-fluoro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine?
N-[[3-fluoro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine has a molecular weight of 293.34 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 115953311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).