5-[2,3-difluoro-5-(methoxymethyl)phenyl]-1,2-oxazol-3-amine

C11H10F2N2O2 — CID 117352540

IUPAC5-[2,3-difluoro-5-(methoxymethyl)phenyl]-1,2-oxazol-3-amine
SMILESCOCc1cc(F)c(F)c(-c2cc(N)no2)c1
InChIInChI=1S/C11H10F2N2O2/c1-16-5-6-2-7(11(13)8(12)3-6)9-4-10(14)15-17-9/h2-4H,5H2,1H3,(H2,14,15)
InChIKeyFPOLMGKEQHJNPO-UHFFFAOYSA-N
MW240.21 g/mol
LogP2.35
Rot. Bonds3

About 5-[2,3-difluoro-5-(methoxymethyl)phenyl]-1,2-oxazol-3-amine

5-[2,3-difluoro-5-(methoxymethyl)phenyl]-1,2-oxazol-3-amine (PubChem CID 117352540) has the molecular formula C11H10F2N2O2 and a molecular weight of 240.21 g/mol. Its IUPAC name is 5-[2,3-difluoro-5-(methoxymethyl)phenyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[2,3-difluoro-5-(methoxymethyl)phenyl]-1,2-oxazol-3-amine
PubChem CID117352540
Molecular FormulaC11H10F2N2O2
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name5-[2,3-difluoro-5-(methoxymethyl)phenyl]-1,2-oxazol-3-amine
SMILESCOCc1cc(F)c(F)c(-c2cc(N)no2)c1
InChIInChI=1S/C11H10F2N2O2/c1-16-5-6-2-7(11(13)8(12)3-6)9-4-10(14)15-17-9/h2-4H,5H2,1H3,(H2,14,15)
InChIKeyFPOLMGKEQHJNPO-UHFFFAOYSA-N
XLogP2.35
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2,3-dimethoxy-5-(methoxymethyl)phenyl]-1,2-oxazol-3-amine
CID 117414884
5-[2,3-difluoro-5-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
CID 117350139
5-(4,5-difluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117393411
3-[2,3-difluoro-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117385342
5-[5-(difluoromethyl)-2,3-difluorophenyl]-1,2-oxazol-3-amine
CID 117367117
5-(4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117348486
5-(3,5-difluoro-2,6-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117393405
5-(3-chloro-2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine
CID 117358478
5-(5-bromo-2-fluoro-3-methoxyphenyl)-1,2-oxazol-3-amine
CID 117462604
5-(5-chloro-2-fluoro-3-methoxyphenyl)-1,2-oxazol-3-amine
CID 117358471
5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine
CID 117297135
5-(2,3,4-trifluorophenyl)-1,2-oxazol-3-amine
CID 79754981

Frequently Asked Questions

What is the IUPAC name of 5-[2,3-difluoro-5-(methoxymethyl)phenyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[2,3-difluoro-5-(methoxymethyl)phenyl]-1,2-oxazol-3-amine (CID 117352540) is 5-[2,3-difluoro-5-(methoxymethyl)phenyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[2,3-difluoro-5-(methoxymethyl)phenyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[2,3-difluoro-5-(methoxymethyl)phenyl]-1,2-oxazol-3-amine is COCc1cc(F)c(F)c(-c2cc(N)no2)c1.
What is the InChIKey of 5-[2,3-difluoro-5-(methoxymethyl)phenyl]-1,2-oxazol-3-amine?
The InChIKey is FPOLMGKEQHJNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O2/c1-16-5-6-2-7(11(13)8(12)3-6)9-4-10(14)15-17-9/h2-4H,5H2,1H3,(H2,14,15).
What are the key properties of 5-[2,3-difluoro-5-(methoxymethyl)phenyl]-1,2-oxazol-3-amine?
5-[2,3-difluoro-5-(methoxymethyl)phenyl]-1,2-oxazol-3-amine has a molecular weight of 240.21 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,3-difluoro-5-(methoxymethyl)phenyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 117352540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).