N-[[3-fluoro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine

C14H18FN3O2 — CID 115955286

IUPACN-[[3-fluoro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccc(F)c1OCc1ncon1
InChIInChI=1S/C14H18FN3O2/c1-10(2)6-16-7-11-4-3-5-12(15)14(11)19-8-13-17-9-20-18-13/h3-5,9-10,16H,6-8H2,1-2H3
InChIKeyRWRZTFDQBJKUPH-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.53
Rot. Bonds7

About N-[[3-fluoro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine

N-[[3-fluoro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 115955286) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is N-[[3-fluoro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-fluoro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID115955286
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC NameN-[[3-fluoro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccc(F)c1OCc1ncon1
InChIInChI=1S/C14H18FN3O2/c1-10(2)6-16-7-11-4-3-5-12(15)14(11)19-8-13-17-9-20-18-13/h3-5,9-10,16H,6-8H2,1-2H3
InChIKeyRWRZTFDQBJKUPH-UHFFFAOYSA-N
XLogP2.53
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63057278
N-[[3-fluoro-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 115955351
N-[[2-[3-(dimethylamino)propoxy]-3-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 114524923
3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]propane-1,2-diol
CID 112610784
N-[[3-fluoro-2-(3-methylbut-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 112610806
2-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide
CID 112610813
N-[[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 115955266
N-[[3-bromo-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 61390668
N-[[2-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 115955301
1,1,1-trifluoro-3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]propan-2-ol
CID 115955288
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291289
N-[[3-fluoro-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 115955092

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-fluoro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine (CID 115955286) is N-[[3-fluoro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-fluoro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-fluoro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cccc(F)c1OCc1ncon1.
What is the InChIKey of N-[[3-fluoro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is RWRZTFDQBJKUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-10(2)6-16-7-11-4-3-5-12(15)14(11)19-8-13-17-9-20-18-13/h3-5,9-10,16H,6-8H2,1-2H3.
What are the key properties of N-[[3-fluoro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine?
N-[[3-fluoro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 279.31 g/mol, XLogP of 2.53, 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-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 115955286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).