3-[4-(1,1-difluoroethyl)phenyl]-1,2-oxazol-5-amine

C11H10F2N2O — CID 117321318

IUPAC3-[4-(1,1-difluoroethyl)phenyl]-1,2-oxazol-5-amine
SMILESCC(F)(F)c1ccc(-c2cc(N)on2)cc1
InChIInChI=1S/C11H10F2N2O/c1-11(12,13)8-4-2-7(3-5-8)9-6-10(14)16-15-9/h2-6H,14H2,1H3
InChIKeyXRIXLAVQHDZOOI-UHFFFAOYSA-N
MW224.21 g/mol
LogP3.04
Rot. Bonds2

About 3-[4-(1,1-difluoroethyl)phenyl]-1,2-oxazol-5-amine

3-[4-(1,1-difluoroethyl)phenyl]-1,2-oxazol-5-amine (PubChem CID 117321318) has the molecular formula C11H10F2N2O and a molecular weight of 224.21 g/mol. Its IUPAC name is 3-[4-(1,1-difluoroethyl)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[4-(1,1-difluoroethyl)phenyl]-1,2-oxazol-5-amine
PubChem CID117321318
Molecular FormulaC11H10F2N2O
Molecular Weight224.21 g/mol
Exact Mass224.08
IUPAC Name3-[4-(1,1-difluoroethyl)phenyl]-1,2-oxazol-5-amine
SMILESCC(F)(F)c1ccc(-c2cc(N)on2)cc1
InChIInChI=1S/C11H10F2N2O/c1-11(12,13)8-4-2-7(3-5-8)9-6-10(14)16-15-9/h2-6H,14H2,1H3
InChIKeyXRIXLAVQHDZOOI-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenyl]-1,2-oxazol-5-amine
CID 117494983
3-[4-(1,1-difluoroethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117385137
3-(4-tert-butyl-2-methylphenyl)-1,2-oxazol-5-amine
CID 82474477
3-[4-(difluoromethylsulfanyl)phenyl]-1,2-oxazol-5-amine
CID 117357277
3-(4-propan-2-yloxyphenyl)-1,2-oxazol-5-amine
CID 82472062
3-[4-(difluoromethoxy)phenyl]-1,2-oxazol-5-amine
CID 28603394
3-[4-(trifluoromethyl)isoquinolin-7-yl]-1,2-oxazol-5-amine
CID 117447463
3-(4-butan-2-ylphenyl)-1,2-oxazol-5-amine
CID 5100398
3-[2-(2-fluoropropan-2-yl)phenyl]-1,2-oxazol-5-amine
CID 117314022
3-[4-(2-methylimidazol-1-yl)phenyl]-1,2-oxazol-5-amine
CID 117353119
3-(4-propan-2-ylsulfonylphenyl)-1,2-oxazol-5-amine
CID 82487019
3-[4-(4-methylcyclohexyl)phenyl]-1,2-oxazol-5-amine
CID 117394468

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,1-difluoroethyl)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[4-(1,1-difluoroethyl)phenyl]-1,2-oxazol-5-amine (CID 117321318) is 3-[4-(1,1-difluoroethyl)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[4-(1,1-difluoroethyl)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[4-(1,1-difluoroethyl)phenyl]-1,2-oxazol-5-amine is CC(F)(F)c1ccc(-c2cc(N)on2)cc1.
What is the InChIKey of 3-[4-(1,1-difluoroethyl)phenyl]-1,2-oxazol-5-amine?
The InChIKey is XRIXLAVQHDZOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O/c1-11(12,13)8-4-2-7(3-5-8)9-6-10(14)16-15-9/h2-6H,14H2,1H3.
What are the key properties of 3-[4-(1,1-difluoroethyl)phenyl]-1,2-oxazol-5-amine?
3-[4-(1,1-difluoroethyl)phenyl]-1,2-oxazol-5-amine has a molecular weight of 224.21 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,1-difluoroethyl)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117321318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).