2-fluoro-N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylaniline

C14H12FN3O2 — CID 98513430

IUPAC2-fluoro-N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylaniline
SMILESCN(Cc1noc(-c2ccoc2)n1)c1ccccc1F
InChIInChI=1S/C14H12FN3O2/c1-18(12-5-3-2-4-11(12)15)8-13-16-14(20-17-13)10-6-7-19-9-10/h2-7,9H,8H2,1H3
InChIKeyVLRJZEYWKJASGC-UHFFFAOYSA-N
MW273.27 g/mol
LogP3.11
Rot. Bonds4

About 2-fluoro-N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylaniline

2-fluoro-N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylaniline (PubChem CID 98513430) has the molecular formula C14H12FN3O2 and a molecular weight of 273.27 g/mol. Its IUPAC name is 2-fluoro-N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylaniline.

Molecular Properties

Compound Name2-fluoro-N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylaniline
PubChem CID98513430
Molecular FormulaC14H12FN3O2
Molecular Weight273.27 g/mol
Exact Mass273.09
IUPAC Name2-fluoro-N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylaniline
SMILESCN(Cc1noc(-c2ccoc2)n1)c1ccccc1F
InChIInChI=1S/C14H12FN3O2/c1-18(12-5-3-2-4-11(12)15)8-13-16-14(20-17-13)10-6-7-19-9-10/h2-7,9H,8H2,1H3
InChIKeyVLRJZEYWKJASGC-UHFFFAOYSA-N
XLogP3.11
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylaniline?
The IUPAC name of 2-fluoro-N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylaniline (CID 98513430) is 2-fluoro-N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylaniline.
What is the SMILES notation for 2-fluoro-N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylaniline?
The canonical SMILES for 2-fluoro-N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylaniline is CN(Cc1noc(-c2ccoc2)n1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylaniline?
The InChIKey is VLRJZEYWKJASGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2/c1-18(12-5-3-2-4-11(12)15)8-13-16-14(20-17-13)10-6-7-19-9-10/h2-7,9H,8H2,1H3.
What are the key properties of 2-fluoro-N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylaniline?
2-fluoro-N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylaniline has a molecular weight of 273.27 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylaniline is sourced from PubChem (CID 98513430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).