5-(4,5-difluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine

C11H10F2N2O3 — CID 117393411

IUPAC5-(4,5-difluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1c(-c2cc(N)no2)cc(F)c(F)c1OC
InChIInChI=1S/C11H10F2N2O3/c1-16-10-5(7-4-8(14)15-18-7)3-6(12)9(13)11(10)17-2/h3-4H,1-2H3,(H2,14,15)
InChIKeyBICDAPCGDDNAMZ-UHFFFAOYSA-N
MW256.21 g/mol
LogP2.22
Rot. Bonds3

About 5-(4,5-difluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine

5-(4,5-difluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine (PubChem CID 117393411) has the molecular formula C11H10F2N2O3 and a molecular weight of 256.21 g/mol. Its IUPAC name is 5-(4,5-difluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(4,5-difluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine
PubChem CID117393411
Molecular FormulaC11H10F2N2O3
Molecular Weight256.21 g/mol
Exact Mass256.07
IUPAC Name5-(4,5-difluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1c(-c2cc(N)no2)cc(F)c(F)c1OC
InChIInChI=1S/C11H10F2N2O3/c1-16-10-5(7-4-8(14)15-18-7)3-6(12)9(13)11(10)17-2/h3-4H,1-2H3,(H2,14,15)
InChIKeyBICDAPCGDDNAMZ-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-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-fluoro-2-methoxy-5-propan-2-ylphenyl)-1,2-oxazol-3-amine
CID 117378736
5-[2,3-difluoro-5-(methoxymethyl)phenyl]-1,2-oxazol-3-amine
CID 117352540
5-(4,6-difluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117393410
5-(5-chloro-2,3-dimethoxy-4-methylphenyl)-1,2-oxazol-3-amine
CID 117425219
5-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117383164
5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine
CID 117297135
5-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-3-amine
CID 117461608
5-(2,6-difluoro-3,5-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117393407
5-(5-chloro-2-fluoro-3-methoxyphenyl)-1,2-oxazol-3-amine
CID 117358471
5-(5-bromo-2-fluoro-3-methoxyphenyl)-1,2-oxazol-3-amine
CID 117462604

Frequently Asked Questions

What is the IUPAC name of 5-(4,5-difluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(4,5-difluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine (CID 117393411) is 5-(4,5-difluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(4,5-difluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(4,5-difluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine is COc1c(-c2cc(N)no2)cc(F)c(F)c1OC.
What is the InChIKey of 5-(4,5-difluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine?
The InChIKey is BICDAPCGDDNAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O3/c1-16-10-5(7-4-8(14)15-18-7)3-6(12)9(13)11(10)17-2/h3-4H,1-2H3,(H2,14,15).
What are the key properties of 5-(4,5-difluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine?
5-(4,5-difluoro-2,3-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-(4,5-difluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117393411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).