2-(5-amino-1,2-oxazol-4-yl)-6-(difluoromethyl)-4-propan-2-ylphenol

C13H14F2N2O2 — CID 117424037

IUPAC2-(5-amino-1,2-oxazol-4-yl)-6-(difluoromethyl)-4-propan-2-ylphenol
SMILESCC(C)c1cc(-c2cnoc2N)c(O)c(C(F)F)c1
InChIInChI=1S/C13H14F2N2O2/c1-6(2)7-3-8(10-5-17-19-13(10)16)11(18)9(4-7)12(14)15/h3-6,12,18H,16H2,1-2H3
InChIKeyODYMKEICYLJCQI-UHFFFAOYSA-N
MW268.26 g/mol
LogP3.69
Rot. Bonds3

About 2-(5-amino-1,2-oxazol-4-yl)-6-(difluoromethyl)-4-propan-2-ylphenol

2-(5-amino-1,2-oxazol-4-yl)-6-(difluoromethyl)-4-propan-2-ylphenol (PubChem CID 117424037) has the molecular formula C13H14F2N2O2 and a molecular weight of 268.26 g/mol. Its IUPAC name is 2-(5-amino-1,2-oxazol-4-yl)-6-(difluoromethyl)-4-propan-2-ylphenol.

Molecular Properties

Compound Name2-(5-amino-1,2-oxazol-4-yl)-6-(difluoromethyl)-4-propan-2-ylphenol
PubChem CID117424037
Molecular FormulaC13H14F2N2O2
Molecular Weight268.26 g/mol
Exact Mass268.10
IUPAC Name2-(5-amino-1,2-oxazol-4-yl)-6-(difluoromethyl)-4-propan-2-ylphenol
SMILESCC(C)c1cc(-c2cnoc2N)c(O)c(C(F)F)c1
InChIInChI=1S/C13H14F2N2O2/c1-6(2)7-3-8(10-5-17-19-13(10)16)11(18)9(4-7)12(14)15/h3-6,12,18H,16H2,1-2H3
InChIKeyODYMKEICYLJCQI-UHFFFAOYSA-N
XLogP3.69
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-fluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117314028
4-(3-fluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117314027
3-(5-amino-1,2-oxazol-4-yl)-6-methylbenzene-1,2-diol
CID 117294489
4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117428577
2-(1-aminopropan-2-yl)-6-(difluoromethyl)-4-propan-2-ylphenol
CID 117359962
3-(5-amino-1,2-oxazol-4-yl)-2,6-dimethylphenol
CID 117292468
2-(5-amino-1,2-oxazol-4-yl)-6-chloro-4-ethylphenol
CID 117349778
3-(difluoromethyl)-2-hydroxy-5-propan-2-ylbenzonitrile
CID 117301023
4-(5-amino-1,2-oxazol-4-yl)-2-fluorobenzene-1,3-diol
CID 117299784
3-(5-amino-1,2-oxazol-4-yl)-2-fluoro-5-methoxyphenol
CID 117321279
3-[3-(difluoromethyl)-2-hydroxy-5-propan-2-ylphenyl]butanal
CID 117394047
4-[2,4-bis(methylsulfanyl)phenyl]-1,2-oxazol-5-amine
CID 117384436

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,2-oxazol-4-yl)-6-(difluoromethyl)-4-propan-2-ylphenol?
The IUPAC name of 2-(5-amino-1,2-oxazol-4-yl)-6-(difluoromethyl)-4-propan-2-ylphenol (CID 117424037) is 2-(5-amino-1,2-oxazol-4-yl)-6-(difluoromethyl)-4-propan-2-ylphenol.
What is the SMILES notation for 2-(5-amino-1,2-oxazol-4-yl)-6-(difluoromethyl)-4-propan-2-ylphenol?
The canonical SMILES for 2-(5-amino-1,2-oxazol-4-yl)-6-(difluoromethyl)-4-propan-2-ylphenol is CC(C)c1cc(-c2cnoc2N)c(O)c(C(F)F)c1.
What is the InChIKey of 2-(5-amino-1,2-oxazol-4-yl)-6-(difluoromethyl)-4-propan-2-ylphenol?
The InChIKey is ODYMKEICYLJCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2/c1-6(2)7-3-8(10-5-17-19-13(10)16)11(18)9(4-7)12(14)15/h3-6,12,18H,16H2,1-2H3.
What are the key properties of 2-(5-amino-1,2-oxazol-4-yl)-6-(difluoromethyl)-4-propan-2-ylphenol?
2-(5-amino-1,2-oxazol-4-yl)-6-(difluoromethyl)-4-propan-2-ylphenol has a molecular weight of 268.26 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1,2-oxazol-4-yl)-6-(difluoromethyl)-4-propan-2-ylphenol is sourced from PubChem (CID 117424037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).