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

C13H15FN2O — CID 54882236

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoro-5-methylaniline
SMILESCc1ccc(F)c(NCc2nc(C)c(C)o2)c1
InChIInChI=1S/C13H15FN2O/c1-8-4-5-11(14)12(6-8)15-7-13-16-9(2)10(3)17-13/h4-6,15H,7H2,1-3H3
InChIKeyMXYGYKPUKSADHD-UHFFFAOYSA-N
MW234.27 g/mol
LogP3.35
Rot. Bonds3

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoro-5-methylaniline (PubChem CID 54882236) 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]-2-fluoro-5-methylaniline.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoro-5-methylaniline
PubChem CID54882236
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoro-5-methylaniline
SMILESCc1ccc(F)c(NCc2nc(C)c(C)o2)c1
InChIInChI=1S/C13H15FN2O/c1-8-4-5-11(14)12(6-8)15-7-13-16-9(2)10(3)17-13/h4-6,15H,7H2,1-3H3
InChIKeyMXYGYKPUKSADHD-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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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-difluoroaniline
CID 54882181
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpyridin-2-amine
CID 106374176
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylaniline
CID 113252858
2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053781
1-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-5-methoxybenzene-1,2-diamine
CID 106369939
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-6-fluorobenzoic acid
CID 106377662
7-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine
CID 106374323
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-fluoropyridin-2-amine
CID 106375630
[5-[(2-fluoro-5-methylanilino)methyl]furan-2-yl]methanol
CID 64579556
1-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)benzene-1,2-diamine
CID 106369923
1-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-iodobenzene-1,4-diamine
CID 106369876
5-bromo-2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]aniline
CID 55132827

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoro-5-methylaniline?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoro-5-methylaniline (CID 54882236) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoro-5-methylaniline.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoro-5-methylaniline?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoro-5-methylaniline is Cc1ccc(F)c(NCc2nc(C)c(C)o2)c1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoro-5-methylaniline?
The InChIKey is MXYGYKPUKSADHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-8-4-5-11(14)12(6-8)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]-2-fluoro-5-methylaniline?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoro-5-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]-2-fluoro-5-methylaniline is sourced from PubChem (CID 54882236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).