3-(3-ethyl-2,6-difluorophenyl)-1,2-oxazol-5-amine

C11H10F2N2O — CID 117321351

IUPAC3-(3-ethyl-2,6-difluorophenyl)-1,2-oxazol-5-amine
SMILESCCc1ccc(F)c(-c2cc(N)on2)c1F
InChIInChI=1S/C11H10F2N2O/c1-2-6-3-4-7(12)10(11(6)13)8-5-9(14)16-15-8/h3-5H,2,14H2,1H3
InChIKeyOPAMFSVMTYKYCJ-UHFFFAOYSA-N
MW224.21 g/mol
LogP2.76
Rot. Bonds2

About 3-(3-ethyl-2,6-difluorophenyl)-1,2-oxazol-5-amine

3-(3-ethyl-2,6-difluorophenyl)-1,2-oxazol-5-amine (PubChem CID 117321351) has the molecular formula C11H10F2N2O and a molecular weight of 224.21 g/mol. Its IUPAC name is 3-(3-ethyl-2,6-difluorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-ethyl-2,6-difluorophenyl)-1,2-oxazol-5-amine
PubChem CID117321351
Molecular FormulaC11H10F2N2O
Molecular Weight224.21 g/mol
Exact Mass224.08
IUPAC Name3-(3-ethyl-2,6-difluorophenyl)-1,2-oxazol-5-amine
SMILESCCc1ccc(F)c(-c2cc(N)on2)c1F
InChIInChI=1S/C11H10F2N2O/c1-2-6-3-4-7(12)10(11(6)13)8-5-9(14)16-15-8/h3-5H,2,14H2,1H3
InChIKeyOPAMFSVMTYKYCJ-UHFFFAOYSA-N
XLogP2.76
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromo-2,6-difluorophenyl)-1,2-oxazol-5-amine
CID 117439369
3-(2-ethyl-5-methylphenyl)-1,2-oxazol-5-amine
CID 117290975
3-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazol-5-amine
CID 43608008
3-(6-fluoro-4H-1,3-benzodioxin-5-yl)-1,2-oxazol-5-amine
CID 117344219
3-(6-fluoro-1-benzofuran-7-yl)-1,2-oxazol-5-amine
CID 117310537
3-(3-chloro-6-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 117358433
4-(5-amino-1,2-oxazol-3-yl)-2-chloro-3,5-difluorophenol
CID 137011591
3-(3-bromo-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine
CID 117458753
3-(5-amino-1,2-oxazol-3-yl)-2,6-difluorophenol
CID 117302459
2-(5-amino-1,2-oxazol-3-yl)-6-chloro-4-fluoro-3-methylphenol
CID 136952346
3-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazol-5-amine
CID 117325881
6-(5-amino-1,2-oxazol-3-yl)-2-fluoro-3-methylphenol
CID 136998707

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-2,6-difluorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-ethyl-2,6-difluorophenyl)-1,2-oxazol-5-amine (CID 117321351) is 3-(3-ethyl-2,6-difluorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-ethyl-2,6-difluorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-ethyl-2,6-difluorophenyl)-1,2-oxazol-5-amine is CCc1ccc(F)c(-c2cc(N)on2)c1F.
What is the InChIKey of 3-(3-ethyl-2,6-difluorophenyl)-1,2-oxazol-5-amine?
The InChIKey is OPAMFSVMTYKYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O/c1-2-6-3-4-7(12)10(11(6)13)8-5-9(14)16-15-8/h3-5H,2,14H2,1H3.
What are the key properties of 3-(3-ethyl-2,6-difluorophenyl)-1,2-oxazol-5-amine?
3-(3-ethyl-2,6-difluorophenyl)-1,2-oxazol-5-amine has a molecular weight of 224.21 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-2,6-difluorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117321351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).