2-fluoro-N,N-dimethyl-5-(2-methyl-1,3-oxazol-5-yl)aniline

C12H13FN2O — CID 141279145

IUPAC2-fluoro-N,N-dimethyl-5-(2-methyl-1,3-oxazol-5-yl)aniline
SMILESCc1ncc(-c2ccc(F)c(N(C)C)c2)o1
InChIInChI=1S/C12H13FN2O/c1-8-14-7-12(16-8)9-4-5-10(13)11(6-9)15(2)3/h4-7H,1-3H3
InChIKeyYNNPEFOILYJQFD-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.86
Rot. Bonds2

About 2-fluoro-N,N-dimethyl-5-(2-methyl-1,3-oxazol-5-yl)aniline

2-fluoro-N,N-dimethyl-5-(2-methyl-1,3-oxazol-5-yl)aniline (PubChem CID 141279145) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-fluoro-N,N-dimethyl-5-(2-methyl-1,3-oxazol-5-yl)aniline.

Molecular Properties

Compound Name2-fluoro-N,N-dimethyl-5-(2-methyl-1,3-oxazol-5-yl)aniline
PubChem CID141279145
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name2-fluoro-N,N-dimethyl-5-(2-methyl-1,3-oxazol-5-yl)aniline
SMILESCc1ncc(-c2ccc(F)c(N(C)C)c2)o1
InChIInChI=1S/C12H13FN2O/c1-8-14-7-12(16-8)9-4-5-10(13)11(6-9)15(2)3/h4-7H,1-3H3
InChIKeyYNNPEFOILYJQFD-UHFFFAOYSA-N
XLogP2.86
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,N-dimethyl-5-(2-methyl-1,3-oxazol-5-yl)aniline?
The IUPAC name of 2-fluoro-N,N-dimethyl-5-(2-methyl-1,3-oxazol-5-yl)aniline (CID 141279145) is 2-fluoro-N,N-dimethyl-5-(2-methyl-1,3-oxazol-5-yl)aniline.
What is the SMILES notation for 2-fluoro-N,N-dimethyl-5-(2-methyl-1,3-oxazol-5-yl)aniline?
The canonical SMILES for 2-fluoro-N,N-dimethyl-5-(2-methyl-1,3-oxazol-5-yl)aniline is Cc1ncc(-c2ccc(F)c(N(C)C)c2)o1.
What is the InChIKey of 2-fluoro-N,N-dimethyl-5-(2-methyl-1,3-oxazol-5-yl)aniline?
The InChIKey is YNNPEFOILYJQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-8-14-7-12(16-8)9-4-5-10(13)11(6-9)15(2)3/h4-7H,1-3H3.
What are the key properties of 2-fluoro-N,N-dimethyl-5-(2-methyl-1,3-oxazol-5-yl)aniline?
2-fluoro-N,N-dimethyl-5-(2-methyl-1,3-oxazol-5-yl)aniline has a molecular weight of 220.25 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,N-dimethyl-5-(2-methyl-1,3-oxazol-5-yl)aniline is sourced from PubChem (CID 141279145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).