3-[3-(2-fluorophenyl)-1,2-oxazol-4-yl]-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one

C23H24FN3O4 — CID 163338737

IUPAC3-[3-(2-fluorophenyl)-1,2-oxazol-4-yl]-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one
SMILESCOCCOc1ccc2c(n1)CCN(C(=O)CCc1conc1-c1ccccc1F)C2
InChIInChI=1S/C23H24FN3O4/c1-29-12-13-30-21-8-6-16-14-27(11-10-20(16)25-21)22(28)9-7-17-15-31-26-23(17)18-4-2-3-5-19(18)24/h2-6,8,15H,7,9-14H2,1H3
InChIKeyPCOZFYFFRQJJAK-UHFFFAOYSA-N
MW425.46 g/mol
LogP3.42
Rot. Bonds8

About 3-[3-(2-fluorophenyl)-1,2-oxazol-4-yl]-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one

3-[3-(2-fluorophenyl)-1,2-oxazol-4-yl]-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one (PubChem CID 163338737) has the molecular formula C23H24FN3O4 and a molecular weight of 425.46 g/mol. Its IUPAC name is 3-[3-(2-fluorophenyl)-1,2-oxazol-4-yl]-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one.

Molecular Properties

Compound Name3-[3-(2-fluorophenyl)-1,2-oxazol-4-yl]-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one
PubChem CID163338737
Molecular FormulaC23H24FN3O4
Molecular Weight425.46 g/mol
Exact Mass425.18
IUPAC Name3-[3-(2-fluorophenyl)-1,2-oxazol-4-yl]-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one
SMILESCOCCOc1ccc2c(n1)CCN(C(=O)CCc1conc1-c1ccccc1F)C2
InChIInChI=1S/C23H24FN3O4/c1-29-12-13-30-21-8-6-16-14-27(11-10-20(16)25-21)22(28)9-7-17-15-31-26-23(17)18-4-2-3-5-19(18)24/h2-6,8,15H,7,9-14H2,1H3
InChIKeyPCOZFYFFRQJJAK-UHFFFAOYSA-N
XLogP3.42
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-fluorophenyl)-1,2-oxazol-4-yl]-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one?
The IUPAC name of 3-[3-(2-fluorophenyl)-1,2-oxazol-4-yl]-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one (CID 163338737) is 3-[3-(2-fluorophenyl)-1,2-oxazol-4-yl]-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one.
What is the SMILES notation for 3-[3-(2-fluorophenyl)-1,2-oxazol-4-yl]-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one?
The canonical SMILES for 3-[3-(2-fluorophenyl)-1,2-oxazol-4-yl]-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one is COCCOc1ccc2c(n1)CCN(C(=O)CCc1conc1-c1ccccc1F)C2.
What is the InChIKey of 3-[3-(2-fluorophenyl)-1,2-oxazol-4-yl]-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one?
The InChIKey is PCOZFYFFRQJJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O4/c1-29-12-13-30-21-8-6-16-14-27(11-10-20(16)25-21)22(28)9-7-17-15-31-26-23(17)18-4-2-3-5-19(18)24/h2-6,8,15H,7,9-14H2,1H3.
What are the key properties of 3-[3-(2-fluorophenyl)-1,2-oxazol-4-yl]-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one?
3-[3-(2-fluorophenyl)-1,2-oxazol-4-yl]-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one has a molecular weight of 425.46 g/mol, XLogP of 3.42, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-fluorophenyl)-1,2-oxazol-4-yl]-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one is sourced from PubChem (CID 163338737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).