2,6-difluoro-3-(4-methyl-1,3-oxazol-2-yl)aniline

C10H8F2N2O — CID 165455640

IUPAC2,6-difluoro-3-(4-methyl-1,3-oxazol-2-yl)aniline
SMILESCc1coc(-c2ccc(F)c(N)c2F)n1
InChIInChI=1S/C10H8F2N2O/c1-5-4-15-10(14-5)6-2-3-7(11)9(13)8(6)12/h2-4H,13H2,1H3
InChIKeyUWUMKIBXGJZOJA-UHFFFAOYSA-N
MW210.18 g/mol
LogP2.51
Rot. Bonds1

About 2,6-difluoro-3-(4-methyl-1,3-oxazol-2-yl)aniline

2,6-difluoro-3-(4-methyl-1,3-oxazol-2-yl)aniline (PubChem CID 165455640) has the molecular formula C10H8F2N2O and a molecular weight of 210.18 g/mol. Its IUPAC name is 2,6-difluoro-3-(4-methyl-1,3-oxazol-2-yl)aniline.

Molecular Properties

Compound Name2,6-difluoro-3-(4-methyl-1,3-oxazol-2-yl)aniline
PubChem CID165455640
Molecular FormulaC10H8F2N2O
Molecular Weight210.18 g/mol
Exact Mass210.06
IUPAC Name2,6-difluoro-3-(4-methyl-1,3-oxazol-2-yl)aniline
SMILESCc1coc(-c2ccc(F)c(N)c2F)n1
InChIInChI=1S/C10H8F2N2O/c1-5-4-15-10(14-5)6-2-3-7(11)9(13)8(6)12/h2-4H,13H2,1H3
InChIKeyUWUMKIBXGJZOJA-UHFFFAOYSA-N
XLogP2.51
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-(4-methyl-1,3-oxazol-2-yl)aniline?
The IUPAC name of 2,6-difluoro-3-(4-methyl-1,3-oxazol-2-yl)aniline (CID 165455640) is 2,6-difluoro-3-(4-methyl-1,3-oxazol-2-yl)aniline.
What is the SMILES notation for 2,6-difluoro-3-(4-methyl-1,3-oxazol-2-yl)aniline?
The canonical SMILES for 2,6-difluoro-3-(4-methyl-1,3-oxazol-2-yl)aniline is Cc1coc(-c2ccc(F)c(N)c2F)n1.
What is the InChIKey of 2,6-difluoro-3-(4-methyl-1,3-oxazol-2-yl)aniline?
The InChIKey is UWUMKIBXGJZOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O/c1-5-4-15-10(14-5)6-2-3-7(11)9(13)8(6)12/h2-4H,13H2,1H3.
What are the key properties of 2,6-difluoro-3-(4-methyl-1,3-oxazol-2-yl)aniline?
2,6-difluoro-3-(4-methyl-1,3-oxazol-2-yl)aniline has a molecular weight of 210.18 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-(4-methyl-1,3-oxazol-2-yl)aniline is sourced from PubChem (CID 165455640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).