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

C12H13FN2O4 — CID 117424010

IUPAC5-(3-fluoro-2,4,5-trimethoxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1cc(-c2cc(N)no2)c(OC)c(F)c1OC
InChIInChI=1S/C12H13FN2O4/c1-16-8-4-6(7-5-9(14)15-19-7)11(17-2)10(13)12(8)18-3/h4-5H,1-3H3,(H2,14,15)
InChIKeyIHPITWNDHXZHON-UHFFFAOYSA-N
MW268.24 g/mol
LogP2.09
Rot. Bonds4

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

5-(3-fluoro-2,4,5-trimethoxyphenyl)-1,2-oxazol-3-amine (PubChem CID 117424010) has the molecular formula C12H13FN2O4 and a molecular weight of 268.24 g/mol. Its IUPAC name is 5-(3-fluoro-2,4,5-trimethoxyphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-fluoro-2,4,5-trimethoxyphenyl)-1,2-oxazol-3-amine
PubChem CID117424010
Molecular FormulaC12H13FN2O4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Name5-(3-fluoro-2,4,5-trimethoxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1cc(-c2cc(N)no2)c(OC)c(F)c1OC
InChIInChI=1S/C12H13FN2O4/c1-16-8-4-6(7-5-9(14)15-19-7)11(17-2)10(13)12(8)18-3/h4-5H,1-3H3,(H2,14,15)
InChIKeyIHPITWNDHXZHON-UHFFFAOYSA-N
XLogP2.09
TPSA79.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-2,4,5-trimethoxyphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-fluoro-2,4,5-trimethoxyphenyl)-1,2-oxazol-3-amine (CID 117424010) is 5-(3-fluoro-2,4,5-trimethoxyphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-fluoro-2,4,5-trimethoxyphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-fluoro-2,4,5-trimethoxyphenyl)-1,2-oxazol-3-amine is COc1cc(-c2cc(N)no2)c(OC)c(F)c1OC.
What is the InChIKey of 5-(3-fluoro-2,4,5-trimethoxyphenyl)-1,2-oxazol-3-amine?
The InChIKey is IHPITWNDHXZHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O4/c1-16-8-4-6(7-5-9(14)15-19-7)11(17-2)10(13)12(8)18-3/h4-5H,1-3H3,(H2,14,15).
What are the key properties of 5-(3-fluoro-2,4,5-trimethoxyphenyl)-1,2-oxazol-3-amine?
5-(3-fluoro-2,4,5-trimethoxyphenyl)-1,2-oxazol-3-amine has a molecular weight of 268.24 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-2,4,5-trimethoxyphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117424010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).