5-[5-(difluoromethyl)-2,3-difluorophenyl]-1,2-oxazol-3-amine

C10H6F4N2O — CID 117367117

IUPAC5-[5-(difluoromethyl)-2,3-difluorophenyl]-1,2-oxazol-3-amine
SMILESNc1cc(-c2cc(C(F)F)cc(F)c2F)on1
InChIInChI=1S/C10H6F4N2O/c11-6-2-4(10(13)14)1-5(9(6)12)7-3-8(15)16-17-7/h1-3,10H,(H2,15,16)
InChIKeyKQWAYNUTFBEOBN-UHFFFAOYSA-N
MW246.16 g/mol
LogP3.14
Rot. Bonds2

About 5-[5-(difluoromethyl)-2,3-difluorophenyl]-1,2-oxazol-3-amine

5-[5-(difluoromethyl)-2,3-difluorophenyl]-1,2-oxazol-3-amine (PubChem CID 117367117) has the molecular formula C10H6F4N2O and a molecular weight of 246.16 g/mol. Its IUPAC name is 5-[5-(difluoromethyl)-2,3-difluorophenyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[5-(difluoromethyl)-2,3-difluorophenyl]-1,2-oxazol-3-amine
PubChem CID117367117
Molecular FormulaC10H6F4N2O
Molecular Weight246.16 g/mol
Exact Mass246.04
IUPAC Name5-[5-(difluoromethyl)-2,3-difluorophenyl]-1,2-oxazol-3-amine
SMILESNc1cc(-c2cc(C(F)F)cc(F)c2F)on1
InChIInChI=1S/C10H6F4N2O/c11-6-2-4(10(13)14)1-5(9(6)12)7-3-8(15)16-17-7/h1-3,10H,(H2,15,16)
InChIKeyKQWAYNUTFBEOBN-UHFFFAOYSA-N
XLogP3.14
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.16
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-1,2-oxazol-3-amine
CID 117423939
5-(2,3,4-trifluorophenyl)-1,2-oxazol-3-amine
CID 79754981
5-[2,3-difluoro-5-(methoxymethyl)phenyl]-1,2-oxazol-3-amine
CID 117352540
5-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)-1,2-oxazol-3-amine
CID 117378736
4-(3-amino-1,2-oxazol-5-yl)-2,3-difluorophenol
CID 137013055
5-(4,5-difluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117393411
5-(2-chloro-3,5-difluorophenyl)-1,2-oxazol-3-amine
CID 117333114
5-(3-bromo-4,5-difluorophenyl)-1,2-oxazol-3-amine
CID 117439355
5-(4-fluoro-1H-indol-5-yl)-1,2-oxazol-3-amine
CID 117308917
5-(6-fluoro-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117317439
5-(5-bromo-2-fluoro-3-methoxyphenyl)-1,2-oxazol-3-amine
CID 117462604
5-(3-chloro-2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine
CID 117358478

Frequently Asked Questions

What is the IUPAC name of 5-[5-(difluoromethyl)-2,3-difluorophenyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[5-(difluoromethyl)-2,3-difluorophenyl]-1,2-oxazol-3-amine (CID 117367117) is 5-[5-(difluoromethyl)-2,3-difluorophenyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[5-(difluoromethyl)-2,3-difluorophenyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[5-(difluoromethyl)-2,3-difluorophenyl]-1,2-oxazol-3-amine is Nc1cc(-c2cc(C(F)F)cc(F)c2F)on1.
What is the InChIKey of 5-[5-(difluoromethyl)-2,3-difluorophenyl]-1,2-oxazol-3-amine?
The InChIKey is KQWAYNUTFBEOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F4N2O/c11-6-2-4(10(13)14)1-5(9(6)12)7-3-8(15)16-17-7/h1-3,10H,(H2,15,16).
What are the key properties of 5-[5-(difluoromethyl)-2,3-difluorophenyl]-1,2-oxazol-3-amine?
5-[5-(difluoromethyl)-2,3-difluorophenyl]-1,2-oxazol-3-amine has a molecular weight of 246.16 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(difluoromethyl)-2,3-difluorophenyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 117367117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).