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

C11H10F2N2O2 — CID 117352525

IUPAC4-[2,3-difluoro-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine
SMILESCOCc1ccc(-c2cnoc2N)c(F)c1F
InChIInChI=1S/C11H10F2N2O2/c1-16-5-6-2-3-7(10(13)9(6)12)8-4-15-17-11(8)14/h2-4H,5,14H2,1H3
InChIKeyODNCEWIYDNVWIY-UHFFFAOYSA-N
MW240.21 g/mol
LogP2.35
Rot. Bonds3

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

4-[2,3-difluoro-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine (PubChem CID 117352525) has the molecular formula C11H10F2N2O2 and a molecular weight of 240.21 g/mol. Its IUPAC name is 4-[2,3-difluoro-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-[2,3-difluoro-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine
PubChem CID117352525
Molecular FormulaC11H10F2N2O2
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name4-[2,3-difluoro-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine
SMILESCOCc1ccc(-c2cnoc2N)c(F)c1F
InChIInChI=1S/C11H10F2N2O2/c1-16-5-6-2-3-7(10(13)9(6)12)8-4-15-17-11(8)14/h2-4H,5,14H2,1H3
InChIKeyODNCEWIYDNVWIY-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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Frequently Asked Questions

What is the IUPAC name of 4-[2,3-difluoro-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 4-[2,3-difluoro-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine (CID 117352525) is 4-[2,3-difluoro-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 4-[2,3-difluoro-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 4-[2,3-difluoro-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine is COCc1ccc(-c2cnoc2N)c(F)c1F.
What is the InChIKey of 4-[2,3-difluoro-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine?
The InChIKey is ODNCEWIYDNVWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O2/c1-16-5-6-2-3-7(10(13)9(6)12)8-4-15-17-11(8)14/h2-4H,5,14H2,1H3.
What are the key properties of 4-[2,3-difluoro-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine?
4-[2,3-difluoro-4-(methoxymethyl)phenyl]-1,2-oxazol-5-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 4-[2,3-difluoro-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117352525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).