N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-fluoro-N-methylaniline

C15H19FN2O — CID 52877914

IUPACN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-fluoro-N-methylaniline
SMILESCN(Cc1ncc(C(C)(C)C)o1)c1ccccc1F
InChIInChI=1S/C15H19FN2O/c1-15(2,3)13-9-17-14(19-13)10-18(4)12-8-6-5-7-11(12)16/h5-9H,10H2,1-4H3
InChIKeyHPKZAYCWPUBNCE-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.75
Rot. Bonds3

About N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-fluoro-N-methylaniline

N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-fluoro-N-methylaniline (PubChem CID 52877914) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-fluoro-N-methylaniline
PubChem CID52877914
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC NameN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-fluoro-N-methylaniline
SMILESCN(Cc1ncc(C(C)(C)C)o1)c1ccccc1F
InChIInChI=1S/C15H19FN2O/c1-15(2,3)13-9-17-14(19-13)10-18(4)12-8-6-5-7-11(12)16/h5-9H,10H2,1-4H3
InChIKeyHPKZAYCWPUBNCE-UHFFFAOYSA-N
XLogP3.75
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-fluoro-N-methylaniline?
The IUPAC name of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-fluoro-N-methylaniline (CID 52877914) is N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-fluoro-N-methylaniline.
What is the SMILES notation for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-fluoro-N-methylaniline?
The canonical SMILES for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-fluoro-N-methylaniline is CN(Cc1ncc(C(C)(C)C)o1)c1ccccc1F.
What is the InChIKey of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-fluoro-N-methylaniline?
The InChIKey is HPKZAYCWPUBNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-15(2,3)13-9-17-14(19-13)10-18(4)12-8-6-5-7-11(12)16/h5-9H,10H2,1-4H3.
What are the key properties of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-fluoro-N-methylaniline?
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-fluoro-N-methylaniline has a molecular weight of 262.33 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-fluoro-N-methylaniline is sourced from PubChem (CID 52877914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).