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

C13H15FN2O — CID 54882156

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-methylaniline
SMILESCc1ccc(F)cc1NCc1nc(C)c(C)o1
InChIInChI=1S/C13H15FN2O/c1-8-4-5-11(14)6-12(8)15-7-13-16-9(2)10(3)17-13/h4-6,15H,7H2,1-3H3
InChIKeyKZEXFDJLOVCNKA-UHFFFAOYSA-N
MW234.27 g/mol
LogP3.35
Rot. Bonds3

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-methylaniline (PubChem CID 54882156) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-methylaniline.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-methylaniline
PubChem CID54882156
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-methylaniline
SMILESCc1ccc(F)cc1NCc1nc(C)c(C)o1
InChIInChI=1S/C13H15FN2O/c1-8-4-5-11(14)6-12(8)15-7-13-16-9(2)10(3)17-13/h4-6,15H,7H2,1-3H3
InChIKeyKZEXFDJLOVCNKA-UHFFFAOYSA-N
XLogP3.35
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-methylaniline?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-methylaniline (CID 54882156) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-methylaniline.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-methylaniline?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-methylaniline is Cc1ccc(F)cc1NCc1nc(C)c(C)o1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-methylaniline?
The InChIKey is KZEXFDJLOVCNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-8-4-5-11(14)6-12(8)15-7-13-16-9(2)10(3)17-13/h4-6,15H,7H2,1-3H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-methylaniline?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-methylaniline has a molecular weight of 234.27 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-methylaniline is sourced from PubChem (CID 54882156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).