N-[3-(1-fluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine

C14H12FN3O2 — CID 89459626

IUPACN-[3-(1-fluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine
SMILESCC(F)Oc1cccc(Nc2noc3cccnc23)c1
InChIInChI=1S/C14H12FN3O2/c1-9(15)19-11-5-2-4-10(8-11)17-14-13-12(20-18-14)6-3-7-16-13/h2-9H,1H3,(H,17,18)
InChIKeyBVWRUADZNHSJTJ-UHFFFAOYSA-N
MW273.27 g/mol
LogP3.66
Rot. Bonds4

About N-[3-(1-fluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine

N-[3-(1-fluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine (PubChem CID 89459626) has the molecular formula C14H12FN3O2 and a molecular weight of 273.27 g/mol. Its IUPAC name is N-[3-(1-fluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[3-(1-fluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine
PubChem CID89459626
Molecular FormulaC14H12FN3O2
Molecular Weight273.27 g/mol
Exact Mass273.09
IUPAC NameN-[3-(1-fluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine
SMILESCC(F)Oc1cccc(Nc2noc3cccnc23)c1
InChIInChI=1S/C14H12FN3O2/c1-9(15)19-11-5-2-4-10(8-11)17-14-13-12(20-18-14)6-3-7-16-13/h2-9H,1H3,(H,17,18)
InChIKeyBVWRUADZNHSJTJ-UHFFFAOYSA-N
XLogP3.66
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-fluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The IUPAC name of N-[3-(1-fluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine (CID 89459626) is N-[3-(1-fluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine.
What is the SMILES notation for N-[3-(1-fluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The canonical SMILES for N-[3-(1-fluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine is CC(F)Oc1cccc(Nc2noc3cccnc23)c1.
What is the InChIKey of N-[3-(1-fluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The InChIKey is BVWRUADZNHSJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2/c1-9(15)19-11-5-2-4-10(8-11)17-14-13-12(20-18-14)6-3-7-16-13/h2-9H,1H3,(H,17,18).
What are the key properties of N-[3-(1-fluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine?
N-[3-(1-fluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine has a molecular weight of 273.27 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-fluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine is sourced from PubChem (CID 89459626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).