N-[[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3,5-difluorophenyl]methyl]ethanamine

C14H17F2N3O2 — CID 79882467

IUPACN-[[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3,5-difluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)c(OCc2nc(CC)no2)c(F)c1
InChIInChI=1S/C14H17F2N3O2/c1-3-12-18-13(21-19-12)8-20-14-10(15)5-9(6-11(14)16)7-17-4-2/h5-6,17H,3-4,7-8H2,1-2H3
InChIKeyCNXAAAFHPUYVSB-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.60
Rot. Bonds7

About N-[[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3,5-difluorophenyl]methyl]ethanamine

N-[[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3,5-difluorophenyl]methyl]ethanamine (PubChem CID 79882467) has the molecular formula C14H17F2N3O2 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-[[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3,5-difluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3,5-difluorophenyl]methyl]ethanamine
PubChem CID79882467
Molecular FormulaC14H17F2N3O2
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC NameN-[[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3,5-difluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)c(OCc2nc(CC)no2)c(F)c1
InChIInChI=1S/C14H17F2N3O2/c1-3-12-18-13(21-19-12)8-20-14-10(15)5-9(6-11(14)16)7-17-4-2/h5-6,17H,3-4,7-8H2,1-2H3
InChIKeyCNXAAAFHPUYVSB-UHFFFAOYSA-N
XLogP2.60
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylphenyl]methyl]ethanamine
CID 61497109
N-[[3,5-dichloro-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 60887514
N-[[5-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 115961132
2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorophenyl]ethanamine
CID 107692730
N-[[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 61495179
N-[[4-[(4-bromophenyl)methoxy]-3,5-difluorophenyl]methyl]ethanamine
CID 79882222
N-[[3,5-difluoro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 79882490
N-[[3,5-difluoro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 79882208
3,5-dibromo-4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 107738118
N-[[4-[(5-bromo-3-pyridinyl)methoxy]-3,5-difluorophenyl]methyl]ethanamine
CID 104796407
N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorophenyl]methyl]propan-1-amine
CID 107687320
N-[[3-bromo-4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]propan-1-amine
CID 63046381

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3,5-difluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3,5-difluorophenyl]methyl]ethanamine (CID 79882467) is N-[[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3,5-difluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3,5-difluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3,5-difluorophenyl]methyl]ethanamine is CCNCc1cc(F)c(OCc2nc(CC)no2)c(F)c1.
What is the InChIKey of N-[[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3,5-difluorophenyl]methyl]ethanamine?
The InChIKey is CNXAAAFHPUYVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O2/c1-3-12-18-13(21-19-12)8-20-14-10(15)5-9(6-11(14)16)7-17-4-2/h5-6,17H,3-4,7-8H2,1-2H3.
What are the key properties of N-[[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3,5-difluorophenyl]methyl]ethanamine?
N-[[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3,5-difluorophenyl]methyl]ethanamine has a molecular weight of 297.31 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3,5-difluorophenyl]methyl]ethanamine is sourced from PubChem (CID 79882467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).