3-[3-[1-(2-fluorophenyl)-2-pyridin-2-yloxyethyl]-1,2-oxazol-5-yl]pyridine-2,6-diamine

C21H18FN5O2 — CID 68971549

IUPAC3-[3-[1-(2-fluorophenyl)-2-pyridin-2-yloxyethyl]-1,2-oxazol-5-yl]pyridine-2,6-diamine
SMILESNc1ccc(-c2cc(C(COc3ccccn3)c3ccccc3F)no2)c(N)n1
InChIInChI=1S/C21H18FN5O2/c22-16-6-2-1-5-13(16)15(12-28-20-7-3-4-10-25-20)17-11-18(29-27-17)14-8-9-19(23)26-21(14)24/h1-11,15H,12H2,(H4,23,24,26)
InChIKeyUSJROEUMQVTMHW-UHFFFAOYSA-N
MW391.41 g/mol
LogP3.65
Rot. Bonds6

About 3-[3-[1-(2-fluorophenyl)-2-pyridin-2-yloxyethyl]-1,2-oxazol-5-yl]pyridine-2,6-diamine

3-[3-[1-(2-fluorophenyl)-2-pyridin-2-yloxyethyl]-1,2-oxazol-5-yl]pyridine-2,6-diamine (PubChem CID 68971549) has the molecular formula C21H18FN5O2 and a molecular weight of 391.41 g/mol. Its IUPAC name is 3-[3-[1-(2-fluorophenyl)-2-pyridin-2-yloxyethyl]-1,2-oxazol-5-yl]pyridine-2,6-diamine.

Molecular Properties

Compound Name3-[3-[1-(2-fluorophenyl)-2-pyridin-2-yloxyethyl]-1,2-oxazol-5-yl]pyridine-2,6-diamine
PubChem CID68971549
Molecular FormulaC21H18FN5O2
Molecular Weight391.41 g/mol
Exact Mass391.14
IUPAC Name3-[3-[1-(2-fluorophenyl)-2-pyridin-2-yloxyethyl]-1,2-oxazol-5-yl]pyridine-2,6-diamine
SMILESNc1ccc(-c2cc(C(COc3ccccn3)c3ccccc3F)no2)c(N)n1
InChIInChI=1S/C21H18FN5O2/c22-16-6-2-1-5-13(16)15(12-28-20-7-3-4-10-25-20)17-11-18(29-27-17)14-8-9-19(23)26-21(14)24/h1-11,15H,12H2,(H4,23,24,26)
InChIKeyUSJROEUMQVTMHW-UHFFFAOYSA-N
XLogP3.65
TPSA113.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-(2-fluorophenyl)-2-pyridin-2-yloxyethyl]-1,2-oxazol-5-yl]pyridine-2,6-diamine?
The IUPAC name of 3-[3-[1-(2-fluorophenyl)-2-pyridin-2-yloxyethyl]-1,2-oxazol-5-yl]pyridine-2,6-diamine (CID 68971549) is 3-[3-[1-(2-fluorophenyl)-2-pyridin-2-yloxyethyl]-1,2-oxazol-5-yl]pyridine-2,6-diamine.
What is the SMILES notation for 3-[3-[1-(2-fluorophenyl)-2-pyridin-2-yloxyethyl]-1,2-oxazol-5-yl]pyridine-2,6-diamine?
The canonical SMILES for 3-[3-[1-(2-fluorophenyl)-2-pyridin-2-yloxyethyl]-1,2-oxazol-5-yl]pyridine-2,6-diamine is Nc1ccc(-c2cc(C(COc3ccccn3)c3ccccc3F)no2)c(N)n1.
What is the InChIKey of 3-[3-[1-(2-fluorophenyl)-2-pyridin-2-yloxyethyl]-1,2-oxazol-5-yl]pyridine-2,6-diamine?
The InChIKey is USJROEUMQVTMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2/c22-16-6-2-1-5-13(16)15(12-28-20-7-3-4-10-25-20)17-11-18(29-27-17)14-8-9-19(23)26-21(14)24/h1-11,15H,12H2,(H4,23,24,26).
What are the key properties of 3-[3-[1-(2-fluorophenyl)-2-pyridin-2-yloxyethyl]-1,2-oxazol-5-yl]pyridine-2,6-diamine?
3-[3-[1-(2-fluorophenyl)-2-pyridin-2-yloxyethyl]-1,2-oxazol-5-yl]pyridine-2,6-diamine has a molecular weight of 391.41 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(2-fluorophenyl)-2-pyridin-2-yloxyethyl]-1,2-oxazol-5-yl]pyridine-2,6-diamine is sourced from PubChem (CID 68971549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).