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

C18H13F2N3O4 — CID 171431864

IUPAC5-[4-(difluoromethoxy)phenyl]-7-ethoxy-[1,2]oxazolo[5,4-c][1,8]naphthyridin-4-one
SMILESCCOc1ccc2c3cnoc3c(=O)n(-c3ccc(OC(F)F)cc3)c2n1
InChIInChI=1S/C18H13F2N3O4/c1-2-25-14-8-7-12-13-9-21-27-15(13)17(24)23(16(12)22-14)10-3-5-11(6-4-10)26-18(19)20/h3-9,18H,2H2,1H3
InChIKeyVLNPJEFSBDJSKZ-UHFFFAOYSA-N
MW373.32 g/mol
LogP3.53
Rot. Bonds5

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

5-[4-(difluoromethoxy)phenyl]-7-ethoxy-[1,2]oxazolo[5,4-c][1,8]naphthyridin-4-one (PubChem CID 171431864) 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[5,4-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)phenyl]-7-ethoxy-[1,2]oxazolo[5,4-c][1,8]naphthyridin-4-one
PubChem CID171431864
Molecular FormulaC18H13F2N3O4
Molecular Weight373.32 g/mol
Exact Mass373.09
IUPAC Name5-[4-(difluoromethoxy)phenyl]-7-ethoxy-[1,2]oxazolo[5,4-c][1,8]naphthyridin-4-one
SMILESCCOc1ccc2c3cnoc3c(=O)n(-c3ccc(OC(F)F)cc3)c2n1
InChIInChI=1S/C18H13F2N3O4/c1-2-25-14-8-7-12-13-9-21-27-15(13)17(24)23(16(12)22-14)10-3-5-11(6-4-10)26-18(19)20/h3-9,18H,2H2,1H3
InChIKeyVLNPJEFSBDJSKZ-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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Related Compounds

5-[4-(difluoromethoxy)phenyl]-7-ethoxy-[1,2]oxazolo[3,4-c][1,8]naphthyridin-4-one
CID 171431871
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-1,8-naphthyridin-2-one
CID 175776316
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-1,8-naphthyridin-2-one
CID 155347702
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(6-oxo-1H-pyridin-3-yl)-1,8-naphthyridin-2-one
CID 156805156
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-methyl-6-oxo-3-pyridinyl)-1,8-naphthyridin-2-one
CID 155347806
1-[6-(difluoromethoxy)-3-pyridinyl]-7-ethoxy-3-(4-methoxyphenyl)-1,8-naphthyridin-2-one
CID 155347871
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[6-(3H-furan-2-ylidene)-1H-pyridin-3-yl]-1,8-naphthyridin-2-one
CID 175776313
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[6-(oxolan-3-ylmethoxy)-3-pyridinyl]-1,8-naphthyridin-2-one
CID 156805271
6-bromo-4-[4-(difluoromethoxy)phenyl]-2-ethoxy-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 163253611
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-ethyl-6-imino-3-pyridinyl)-1,8-naphthyridin-2-one
CID 162620056
8-[4-(difluoromethoxy)phenyl]-2-ethoxypteridin-7-one
CID 175835407
5-[4-(difluoromethoxy)phenyl]-7-(trifluoromethyl)-[1,3]oxazolo[4,5-c][1,8]naphthyridin-4-one
CID 164562813

Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)phenyl]-7-ethoxy-[1,2]oxazolo[5,4-c][1,8]naphthyridin-4-one?
The IUPAC name of 5-[4-(difluoromethoxy)phenyl]-7-ethoxy-[1,2]oxazolo[5,4-c][1,8]naphthyridin-4-one (CID 171431864) is 5-[4-(difluoromethoxy)phenyl]-7-ethoxy-[1,2]oxazolo[5,4-c][1,8]naphthyridin-4-one.
What is the SMILES notation for 5-[4-(difluoromethoxy)phenyl]-7-ethoxy-[1,2]oxazolo[5,4-c][1,8]naphthyridin-4-one?
The canonical SMILES for 5-[4-(difluoromethoxy)phenyl]-7-ethoxy-[1,2]oxazolo[5,4-c][1,8]naphthyridin-4-one is CCOc1ccc2c3cnoc3c(=O)n(-c3ccc(OC(F)F)cc3)c2n1.
What is the InChIKey of 5-[4-(difluoromethoxy)phenyl]-7-ethoxy-[1,2]oxazolo[5,4-c][1,8]naphthyridin-4-one?
The InChIKey is VLNPJEFSBDJSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O4/c1-2-25-14-8-7-12-13-9-21-27-15(13)17(24)23(16(12)22-14)10-3-5-11(6-4-10)26-18(19)20/h3-9,18H,2H2,1H3.
What are the key properties of 5-[4-(difluoromethoxy)phenyl]-7-ethoxy-[1,2]oxazolo[5,4-c][1,8]naphthyridin-4-one?
5-[4-(difluoromethoxy)phenyl]-7-ethoxy-[1,2]oxazolo[5,4-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[5,4-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 171431864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).