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

C11H11FN2O3 — CID 117348517

IUPAC4-(3-fluoro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1cc(-c2cnoc2N)cc(F)c1OC
InChIInChI=1S/C11H11FN2O3/c1-15-9-4-6(3-8(12)10(9)16-2)7-5-14-17-11(7)13/h3-5H,13H2,1-2H3
InChIKeyNFCTVFKKOYEJMK-UHFFFAOYSA-N
MW238.22 g/mol
LogP2.08
Rot. Bonds3

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

4-(3-fluoro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine (PubChem CID 117348517) has the molecular formula C11H11FN2O3 and a molecular weight of 238.22 g/mol. Its IUPAC name is 4-(3-fluoro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-fluoro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine
PubChem CID117348517
Molecular FormulaC11H11FN2O3
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Name4-(3-fluoro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1cc(-c2cnoc2N)cc(F)c1OC
InChIInChI=1S/C11H11FN2O3/c1-15-9-4-6(3-8(12)10(9)16-2)7-5-14-17-11(7)13/h3-5H,13H2,1-2H3
InChIKeyNFCTVFKKOYEJMK-UHFFFAOYSA-N
XLogP2.08
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-fluoro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine (CID 117348517) is 4-(3-fluoro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-fluoro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-fluoro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine is COc1cc(-c2cnoc2N)cc(F)c1OC.
What is the InChIKey of 4-(3-fluoro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine?
The InChIKey is NFCTVFKKOYEJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3/c1-15-9-4-6(3-8(12)10(9)16-2)7-5-14-17-11(7)13/h3-5H,13H2,1-2H3.
What are the key properties of 4-(3-fluoro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine?
4-(3-fluoro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine has a molecular weight of 238.22 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117348517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).