[3-(2-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone

C18H16FN3O3 — CID 44824314

IUPAC[3-(2-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone
SMILESCc1cc(C(=O)N2CCOCC2)c2c(-c3ccccc3F)noc2n1
InChIInChI=1S/C18H16FN3O3/c1-11-10-13(18(23)22-6-8-24-9-7-22)15-16(21-25-17(15)20-11)12-4-2-3-5-14(12)19/h2-5,10H,6-9H2,1H3
InChIKeyFBTRXBIBHYAJEB-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.81
Rot. Bonds2

About [3-(2-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone

[3-(2-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone (PubChem CID 44824314) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is [3-(2-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(2-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone
PubChem CID44824314
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Name[3-(2-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone
SMILESCc1cc(C(=O)N2CCOCC2)c2c(-c3ccccc3F)noc2n1
InChIInChI=1S/C18H16FN3O3/c1-11-10-13(18(23)22-6-8-24-9-7-22)15-16(21-25-17(15)20-11)12-4-2-3-5-14(12)19/h2-5,10H,6-9H2,1H3
InChIKeyFBTRXBIBHYAJEB-UHFFFAOYSA-N
XLogP2.81
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(2-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(2-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone (CID 44824314) is [3-(2-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(2-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(2-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone is Cc1cc(C(=O)N2CCOCC2)c2c(-c3ccccc3F)noc2n1.
What is the InChIKey of [3-(2-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is FBTRXBIBHYAJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-11-10-13(18(23)22-6-8-24-9-7-22)15-16(21-25-17(15)20-11)12-4-2-3-5-14(12)19/h2-5,10H,6-9H2,1H3.
What are the key properties of [3-(2-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone?
[3-(2-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 341.34 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 44824314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).