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

C17H8F5N3O3 — CID 164562813

IUPAC5-[4-(difluoromethoxy)phenyl]-7-(trifluoromethyl)-[1,3]oxazolo[4,5-c][1,8]naphthyridin-4-one
SMILESO=c1c2ncoc2c2ccc(C(F)(F)F)nc2n1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H8F5N3O3/c18-16(19)28-9-3-1-8(2-4-9)25-14-10(5-6-11(24-14)17(20,21)22)13-12(15(25)26)23-7-27-13/h1-7,16H
InChIKeyRTQJIFAFPFISSR-UHFFFAOYSA-N
MW397.26 g/mol
LogP4.15
Rot. Bonds3

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

5-[4-(difluoromethoxy)phenyl]-7-(trifluoromethyl)-[1,3]oxazolo[4,5-c][1,8]naphthyridin-4-one (PubChem CID 164562813) has the molecular formula C17H8F5N3O3 and a molecular weight of 397.26 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)phenyl]-7-(trifluoromethyl)-[1,3]oxazolo[4,5-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)phenyl]-7-(trifluoromethyl)-[1,3]oxazolo[4,5-c][1,8]naphthyridin-4-one
PubChem CID164562813
Molecular FormulaC17H8F5N3O3
Molecular Weight397.26 g/mol
Exact Mass397.05
IUPAC Name5-[4-(difluoromethoxy)phenyl]-7-(trifluoromethyl)-[1,3]oxazolo[4,5-c][1,8]naphthyridin-4-one
SMILESO=c1c2ncoc2c2ccc(C(F)(F)F)nc2n1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H8F5N3O3/c18-16(19)28-9-3-1-8(2-4-9)25-14-10(5-6-11(24-14)17(20,21)22)13-12(15(25)26)23-7-27-13/h1-7,16H
InChIKeyRTQJIFAFPFISSR-UHFFFAOYSA-N
XLogP4.15
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[4-(difluoromethoxy)phenyl]-7-(trifluoromethyl)-[1,3]oxazolo[4,5-c][1,8]naphthyridin-4-one with MolForge

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Related Compounds

1-(4-bromophenyl)-3-(4-methoxyphenyl)-4-(1,2,2-trifluoroethoxy)-7-(trifluoromethyl)-1,8-naphthyridin-2-one
CID 175503604
5-(2-chlorophenyl)-7-(trifluoromethyl)-[1,3]oxazolo[5,4-c][1,8]naphthyridin-4-one
CID 164562834
5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
CID 172525423
5-[2-chloro-4-(difluoromethoxy)phenyl]-1-methyl-7-(trifluoromethyl)imidazo[4,5-c][1,8]naphthyridin-4-one
CID 164562901
5-[4-(difluoromethoxy)phenyl]-7-ethoxy-[1,2]oxazolo[3,4-c][1,8]naphthyridin-4-one
CID 171431871
5-[4-(difluoromethoxy)phenyl]-7-ethoxy-[1,2]oxazolo[5,4-c][1,8]naphthyridin-4-one
CID 171431864
2,6-dibromo-4-[4-(difluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 163253622
methyl 4-amino-1-[4-[(1R)-1-hydroxyethyl]phenyl]-2-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 176819912
4-chloro-3-nitro-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridin-2-one
CID 170551449
4-chloro-2-oxo-1-phenyl-7-(trifluoromethyl)-1,8-naphthyridine-3-carbonitrile
CID 162752626
3-chloro-5-[4-(difluoromethoxy)phenyl]-7-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-one
CID 155343664
4-amino-3-(4-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-7-(trifluoromethyl)-1,5-naphthyridin-2-one
CID 177182182

Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)phenyl]-7-(trifluoromethyl)-[1,3]oxazolo[4,5-c][1,8]naphthyridin-4-one?
The IUPAC name of 5-[4-(difluoromethoxy)phenyl]-7-(trifluoromethyl)-[1,3]oxazolo[4,5-c][1,8]naphthyridin-4-one (CID 164562813) is 5-[4-(difluoromethoxy)phenyl]-7-(trifluoromethyl)-[1,3]oxazolo[4,5-c][1,8]naphthyridin-4-one.
What is the SMILES notation for 5-[4-(difluoromethoxy)phenyl]-7-(trifluoromethyl)-[1,3]oxazolo[4,5-c][1,8]naphthyridin-4-one?
The canonical SMILES for 5-[4-(difluoromethoxy)phenyl]-7-(trifluoromethyl)-[1,3]oxazolo[4,5-c][1,8]naphthyridin-4-one is O=c1c2ncoc2c2ccc(C(F)(F)F)nc2n1-c1ccc(OC(F)F)cc1.
What is the InChIKey of 5-[4-(difluoromethoxy)phenyl]-7-(trifluoromethyl)-[1,3]oxazolo[4,5-c][1,8]naphthyridin-4-one?
The InChIKey is RTQJIFAFPFISSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8F5N3O3/c18-16(19)28-9-3-1-8(2-4-9)25-14-10(5-6-11(24-14)17(20,21)22)13-12(15(25)26)23-7-27-13/h1-7,16H.
What are the key properties of 5-[4-(difluoromethoxy)phenyl]-7-(trifluoromethyl)-[1,3]oxazolo[4,5-c][1,8]naphthyridin-4-one?
5-[4-(difluoromethoxy)phenyl]-7-(trifluoromethyl)-[1,3]oxazolo[4,5-c][1,8]naphthyridin-4-one has a molecular weight of 397.26 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)phenyl]-7-(trifluoromethyl)-[1,3]oxazolo[4,5-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 164562813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).