3-(2-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-amine

C17H16FN3O4 — CID 20952673

IUPAC3-(2-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-amine
SMILESCOc1cc(Nc2nc(-c3ccccc3F)no2)cc(OC)c1OC
InChIInChI=1S/C17H16FN3O4/c1-22-13-8-10(9-14(23-2)15(13)24-3)19-17-20-16(21-25-17)11-6-4-5-7-12(11)18/h4-9H,1-3H3,(H,19,20,21)
InChIKeyJRMQPMVUCZHNIC-UHFFFAOYSA-N
MW345.33 g/mol
LogP3.65
Rot. Bonds6

About 3-(2-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-amine

3-(2-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-amine (PubChem CID 20952673) has the molecular formula C17H16FN3O4 and a molecular weight of 345.33 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-amine
PubChem CID20952673
Molecular FormulaC17H16FN3O4
Molecular Weight345.33 g/mol
Exact Mass345.11
IUPAC Name3-(2-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-amine
SMILESCOc1cc(Nc2nc(-c3ccccc3F)no2)cc(OC)c1OC
InChIInChI=1S/C17H16FN3O4/c1-22-13-8-10(9-14(23-2)15(13)24-3)19-17-20-16(21-25-17)11-6-4-5-7-12(11)18/h4-9H,1-3H3,(H,19,20,21)
InChIKeyJRMQPMVUCZHNIC-UHFFFAOYSA-N
XLogP3.65
TPSA78.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(2-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-amine (CID 20952673) is 3-(2-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(2-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(2-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-amine is COc1cc(Nc2nc(-c3ccccc3F)no2)cc(OC)c1OC.
What is the InChIKey of 3-(2-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is JRMQPMVUCZHNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O4/c1-22-13-8-10(9-14(23-2)15(13)24-3)19-17-20-16(21-25-17)11-6-4-5-7-12(11)18/h4-9H,1-3H3,(H,19,20,21).
What are the key properties of 3-(2-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-amine?
3-(2-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 345.33 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 20952673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).