2-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-5-methoxypyran-4-one

C19H17FN2O4 — CID 56744214

IUPAC2-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-5-methoxypyran-4-one
SMILESCOc1coc(CN2CCc3onc(-c4cccc(F)c4)c3C2)cc1=O
InChIInChI=1S/C19H17FN2O4/c1-24-18-11-25-14(8-16(18)23)9-22-6-5-17-15(10-22)19(21-26-17)12-3-2-4-13(20)7-12/h2-4,7-8,11H,5-6,9-10H2,1H3
InChIKeyKBYHDWNKZNYGNO-UHFFFAOYSA-N
MW356.35 g/mol
LogP3.00
Rot. Bonds4

About 2-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-5-methoxypyran-4-one

2-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-5-methoxypyran-4-one (PubChem CID 56744214) has the molecular formula C19H17FN2O4 and a molecular weight of 356.35 g/mol. Its IUPAC name is 2-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-5-methoxypyran-4-one.

Molecular Properties

Compound Name2-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-5-methoxypyran-4-one
PubChem CID56744214
Molecular FormulaC19H17FN2O4
Molecular Weight356.35 g/mol
Exact Mass356.12
IUPAC Name2-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-5-methoxypyran-4-one
SMILESCOc1coc(CN2CCc3onc(-c4cccc(F)c4)c3C2)cc1=O
InChIInChI=1S/C19H17FN2O4/c1-24-18-11-25-14(8-16(18)23)9-22-6-5-17-15(10-22)19(21-26-17)12-3-2-4-13(20)7-12/h2-4,7-8,11H,5-6,9-10H2,1H3
InChIKeyKBYHDWNKZNYGNO-UHFFFAOYSA-N
XLogP3.00
TPSA68.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-5-methoxypyran-4-one?
The IUPAC name of 2-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-5-methoxypyran-4-one (CID 56744214) is 2-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-5-methoxypyran-4-one.
What is the SMILES notation for 2-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-5-methoxypyran-4-one?
The canonical SMILES for 2-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-5-methoxypyran-4-one is COc1coc(CN2CCc3onc(-c4cccc(F)c4)c3C2)cc1=O.
What is the InChIKey of 2-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-5-methoxypyran-4-one?
The InChIKey is KBYHDWNKZNYGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4/c1-24-18-11-25-14(8-16(18)23)9-22-6-5-17-15(10-22)19(21-26-17)12-3-2-4-13(20)7-12/h2-4,7-8,11H,5-6,9-10H2,1H3.
What are the key properties of 2-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-5-methoxypyran-4-one?
2-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-5-methoxypyran-4-one has a molecular weight of 356.35 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methyl]-5-methoxypyran-4-one is sourced from PubChem (CID 56744214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).