5-[4-(difluoromethoxy)phenyl]-7-ethoxy-[1,2]oxazolo[3,4-c][1,8]naphthyridin-4-one

C18H13F2N3O4 — CID 171431871

IUPAC5-[4-(difluoromethoxy)phenyl]-7-ethoxy-[1,2]oxazolo[3,4-c][1,8]naphthyridin-4-one
SMILESCCOc1ccc2c3conc3c(=O)n(-c3ccc(OC(F)F)cc3)c2n1
InChIInChI=1S/C18H13F2N3O4/c1-2-25-14-8-7-12-13-9-26-22-15(13)17(24)23(16(12)21-14)10-3-5-11(6-4-10)27-18(19)20/h3-9,18H,2H2,1H3
InChIKeyYHTXJQOTDAAECM-UHFFFAOYSA-N
MW373.32 g/mol
LogP3.53
Rot. Bonds5

About 5-[4-(difluoromethoxy)phenyl]-7-ethoxy-[1,2]oxazolo[3,4-c][1,8]naphthyridin-4-one

5-[4-(difluoromethoxy)phenyl]-7-ethoxy-[1,2]oxazolo[3,4-c][1,8]naphthyridin-4-one (PubChem CID 171431871) has the molecular formula C18H13F2N3O4 and a molecular weight of 373.32 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)phenyl]-7-ethoxy-[1,2]oxazolo[3,4-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)phenyl]-7-ethoxy-[1,2]oxazolo[3,4-c][1,8]naphthyridin-4-one
PubChem CID171431871
Molecular FormulaC18H13F2N3O4
Molecular Weight373.32 g/mol
Exact Mass373.09
IUPAC Name5-[4-(difluoromethoxy)phenyl]-7-ethoxy-[1,2]oxazolo[3,4-c][1,8]naphthyridin-4-one
SMILESCCOc1ccc2c3conc3c(=O)n(-c3ccc(OC(F)F)cc3)c2n1
InChIInChI=1S/C18H13F2N3O4/c1-2-25-14-8-7-12-13-9-26-22-15(13)17(24)23(16(12)21-14)10-3-5-11(6-4-10)27-18(19)20/h3-9,18H,2H2,1H3
InChIKeyYHTXJQOTDAAECM-UHFFFAOYSA-N
XLogP3.53
TPSA79.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.32
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)phenyl]-7-ethoxy-[1,2]oxazolo[3,4-c][1,8]naphthyridin-4-one?
The IUPAC name of 5-[4-(difluoromethoxy)phenyl]-7-ethoxy-[1,2]oxazolo[3,4-c][1,8]naphthyridin-4-one (CID 171431871) is 5-[4-(difluoromethoxy)phenyl]-7-ethoxy-[1,2]oxazolo[3,4-c][1,8]naphthyridin-4-one.
What is the SMILES notation for 5-[4-(difluoromethoxy)phenyl]-7-ethoxy-[1,2]oxazolo[3,4-c][1,8]naphthyridin-4-one?
The canonical SMILES for 5-[4-(difluoromethoxy)phenyl]-7-ethoxy-[1,2]oxazolo[3,4-c][1,8]naphthyridin-4-one is CCOc1ccc2c3conc3c(=O)n(-c3ccc(OC(F)F)cc3)c2n1.
What is the InChIKey of 5-[4-(difluoromethoxy)phenyl]-7-ethoxy-[1,2]oxazolo[3,4-c][1,8]naphthyridin-4-one?
The InChIKey is YHTXJQOTDAAECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O4/c1-2-25-14-8-7-12-13-9-26-22-15(13)17(24)23(16(12)21-14)10-3-5-11(6-4-10)27-18(19)20/h3-9,18H,2H2,1H3.
What are the key properties of 5-[4-(difluoromethoxy)phenyl]-7-ethoxy-[1,2]oxazolo[3,4-c][1,8]naphthyridin-4-one?
5-[4-(difluoromethoxy)phenyl]-7-ethoxy-[1,2]oxazolo[3,4-c][1,8]naphthyridin-4-one has a molecular weight of 373.32 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)phenyl]-7-ethoxy-[1,2]oxazolo[3,4-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 171431871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).