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

C14H16F2N2O2 — CID 84598321

IUPAC1-(3,4-difluorophenyl)-2-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine
SMILESCOCC(NCc1cc(C)on1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H16F2N2O2/c1-9-5-11(18-20-9)7-17-14(8-19-2)10-3-4-12(15)13(16)6-10/h3-6,14,17H,7-8H2,1-2H3
InChIKeyHDYCNPQFICWTKJ-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.74
Rot. Bonds6

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

1-(3,4-difluorophenyl)-2-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine (PubChem CID 84598321) has the molecular formula C14H16F2N2O2 and a molecular weight of 282.29 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine
PubChem CID84598321
Molecular FormulaC14H16F2N2O2
Molecular Weight282.29 g/mol
Exact Mass282.12
IUPAC Name1-(3,4-difluorophenyl)-2-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine
SMILESCOCC(NCc1cc(C)on1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H16F2N2O2/c1-9-5-11(18-20-9)7-17-14(8-19-2)10-3-4-12(15)13(16)6-10/h3-6,14,17H,7-8H2,1-2H3
InChIKeyHDYCNPQFICWTKJ-UHFFFAOYSA-N
XLogP2.74
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-(3,4-difluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine
CID 60694808
[1-(3,4-difluorophenyl)-2-methoxyethyl]hydrazine
CID 105197185
(1R)-1-(3,4-difluorophenyl)-2-methoxy-N-[[(2S)-oxan-2-yl]methyl]ethanamine
CID 97333998
N-[(1S)-1-(3,4-difluorophenyl)-2-methoxyethyl]-3,5-difluoroaniline
CID 97306802
1-[(2R)-2-(3,4-difluorophenyl)propyl]-3-ethyl-2-[(5-methyl-1,2-oxazol-3-yl)methyl]guanidine
CID 97220760
1-(azepan-1-yl)-2-[[1-(3,4-difluorophenyl)-2-methoxyethyl]amino]ethanone
CID 75471820
1-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 97251637
1-ethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-2-amine
CID 115712416
1-(3,4-difluorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 79574237
(2R)-2-amino-N-[1-(3,4-difluorophenyl)-2-methoxyethyl]propanamide
CID 120874042
2-methoxy-N-[[5-[(5-methyl-1,2-oxazol-3-yl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 79794476
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 60695990

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-2-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine (CID 84598321) is 1-(3,4-difluorophenyl)-2-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine is COCC(NCc1cc(C)on1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine?
The InChIKey is HDYCNPQFICWTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2/c1-9-5-11(18-20-9)7-17-14(8-19-2)10-3-4-12(15)13(16)6-10/h3-6,14,17H,7-8H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine?
1-(3,4-difluorophenyl)-2-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine has a molecular weight of 282.29 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 84598321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).