N-ethyl-3-fluoro-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]aniline

C19H19FN2O2 — CID 55869520

IUPACN-ethyl-3-fluoro-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]aniline
SMILESCCN(Cc1coc(-c2ccc(OC)cc2)n1)c1cccc(F)c1
InChIInChI=1S/C19H19FN2O2/c1-3-22(17-6-4-5-15(20)11-17)12-16-13-24-19(21-16)14-7-9-18(23-2)10-8-14/h4-11,13H,3,12H2,1-2H3
InChIKeyPGVPICFCNYZAEC-UHFFFAOYSA-N
MW326.37 g/mol
LogP4.52
Rot. Bonds6

About N-ethyl-3-fluoro-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]aniline

N-ethyl-3-fluoro-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]aniline (PubChem CID 55869520) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is N-ethyl-3-fluoro-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]aniline.

Molecular Properties

Compound NameN-ethyl-3-fluoro-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]aniline
PubChem CID55869520
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC NameN-ethyl-3-fluoro-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]aniline
SMILESCCN(Cc1coc(-c2ccc(OC)cc2)n1)c1cccc(F)c1
InChIInChI=1S/C19H19FN2O2/c1-3-22(17-6-4-5-15(20)11-17)12-16-13-24-19(21-16)14-7-9-18(23-2)10-8-14/h4-11,13H,3,12H2,1-2H3
InChIKeyPGVPICFCNYZAEC-UHFFFAOYSA-N
XLogP4.52
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-fluoro-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]aniline?
The IUPAC name of N-ethyl-3-fluoro-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]aniline (CID 55869520) is N-ethyl-3-fluoro-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]aniline.
What is the SMILES notation for N-ethyl-3-fluoro-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]aniline?
The canonical SMILES for N-ethyl-3-fluoro-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]aniline is CCN(Cc1coc(-c2ccc(OC)cc2)n1)c1cccc(F)c1.
What is the InChIKey of N-ethyl-3-fluoro-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]aniline?
The InChIKey is PGVPICFCNYZAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-3-22(17-6-4-5-15(20)11-17)12-16-13-24-19(21-16)14-7-9-18(23-2)10-8-14/h4-11,13H,3,12H2,1-2H3.
What are the key properties of N-ethyl-3-fluoro-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]aniline?
N-ethyl-3-fluoro-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]aniline has a molecular weight of 326.37 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-fluoro-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]aniline is sourced from PubChem (CID 55869520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).