5-(3,5-difluoro-2,6-dimethoxyphenyl)-1,2-oxazol-3-amine

C11H10F2N2O3 — CID 117393405

IUPAC5-(3,5-difluoro-2,6-dimethoxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1c(F)cc(F)c(OC)c1-c1cc(N)no1
InChIInChI=1S/C11H10F2N2O3/c1-16-10-5(12)3-6(13)11(17-2)9(10)7-4-8(14)15-18-7/h3-4H,1-2H3,(H2,14,15)
InChIKeyNMDLSBHGUOJWGW-UHFFFAOYSA-N
MW256.21 g/mol
LogP2.22
Rot. Bonds3

About 5-(3,5-difluoro-2,6-dimethoxyphenyl)-1,2-oxazol-3-amine

5-(3,5-difluoro-2,6-dimethoxyphenyl)-1,2-oxazol-3-amine (PubChem CID 117393405) has the molecular formula C11H10F2N2O3 and a molecular weight of 256.21 g/mol. Its IUPAC name is 5-(3,5-difluoro-2,6-dimethoxyphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3,5-difluoro-2,6-dimethoxyphenyl)-1,2-oxazol-3-amine
PubChem CID117393405
Molecular FormulaC11H10F2N2O3
Molecular Weight256.21 g/mol
Exact Mass256.07
IUPAC Name5-(3,5-difluoro-2,6-dimethoxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1c(F)cc(F)c(OC)c1-c1cc(N)no1
InChIInChI=1S/C11H10F2N2O3/c1-16-10-5(12)3-6(13)11(17-2)9(10)7-4-8(14)15-18-7/h3-4H,1-2H3,(H2,14,15)
InChIKeyNMDLSBHGUOJWGW-UHFFFAOYSA-N
XLogP2.22
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4,6-difluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117393410
5-(4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117348486
5-(4,5-difluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117393411
5-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)-1,2-oxazol-3-amine
CID 117378736
5-(2,6-difluoro-3,5-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117393407
5-(2,3-dimethoxy-4,6-dimethylphenyl)-1,2-oxazol-3-amine
CID 117373527
2-(3-amino-1,2-oxazol-5-yl)-3-fluoro-6-methoxyphenol
CID 136968457
5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine
CID 117297135
5-(5,7-difluoro-1-benzofuran-4-yl)-1,2-oxazol-3-amine
CID 117344153
5-(5-chloro-2-fluoro-3-methoxyphenyl)-1,2-oxazol-3-amine
CID 117358471
2-(3-amino-1,2-oxazol-5-yl)-5-chloro-6-methoxy-3-methylphenol
CID 136942364
5-[2,3-difluoro-5-(methoxymethyl)phenyl]-1,2-oxazol-3-amine
CID 117352540

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluoro-2,6-dimethoxyphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(3,5-difluoro-2,6-dimethoxyphenyl)-1,2-oxazol-3-amine (CID 117393405) is 5-(3,5-difluoro-2,6-dimethoxyphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3,5-difluoro-2,6-dimethoxyphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3,5-difluoro-2,6-dimethoxyphenyl)-1,2-oxazol-3-amine is COc1c(F)cc(F)c(OC)c1-c1cc(N)no1.
What is the InChIKey of 5-(3,5-difluoro-2,6-dimethoxyphenyl)-1,2-oxazol-3-amine?
The InChIKey is NMDLSBHGUOJWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O3/c1-16-10-5(12)3-6(13)11(17-2)9(10)7-4-8(14)15-18-7/h3-4H,1-2H3,(H2,14,15).
What are the key properties of 5-(3,5-difluoro-2,6-dimethoxyphenyl)-1,2-oxazol-3-amine?
5-(3,5-difluoro-2,6-dimethoxyphenyl)-1,2-oxazol-3-amine has a molecular weight of 256.21 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluoro-2,6-dimethoxyphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117393405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).