5-(2-chlorophenyl)-7-(trifluoromethyl)-[1,3]oxazolo[5,4-c][1,8]naphthyridin-4-one

C16H7ClF3N3O2 — CID 164562834

IUPAC5-(2-chlorophenyl)-7-(trifluoromethyl)-[1,3]oxazolo[5,4-c][1,8]naphthyridin-4-one
SMILESO=c1c2ocnc2c2ccc(C(F)(F)F)nc2n1-c1ccccc1Cl
InChIInChI=1S/C16H7ClF3N3O2/c17-9-3-1-2-4-10(9)23-14-8(5-6-11(22-14)16(18,19)20)12-13(15(23)24)25-7-21-12/h1-7H
InChIKeyUHKLYZRSZJUTCY-UHFFFAOYSA-N
MW365.70 g/mol
LogP4.20
Rot. Bonds1

About 5-(2-chlorophenyl)-7-(trifluoromethyl)-[1,3]oxazolo[5,4-c][1,8]naphthyridin-4-one

5-(2-chlorophenyl)-7-(trifluoromethyl)-[1,3]oxazolo[5,4-c][1,8]naphthyridin-4-one (PubChem CID 164562834) has the molecular formula C16H7ClF3N3O2 and a molecular weight of 365.70 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-7-(trifluoromethyl)-[1,3]oxazolo[5,4-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name5-(2-chlorophenyl)-7-(trifluoromethyl)-[1,3]oxazolo[5,4-c][1,8]naphthyridin-4-one
PubChem CID164562834
Molecular FormulaC16H7ClF3N3O2
Molecular Weight365.70 g/mol
Exact Mass365.02
IUPAC Name5-(2-chlorophenyl)-7-(trifluoromethyl)-[1,3]oxazolo[5,4-c][1,8]naphthyridin-4-one
SMILESO=c1c2ocnc2c2ccc(C(F)(F)F)nc2n1-c1ccccc1Cl
InChIInChI=1S/C16H7ClF3N3O2/c17-9-3-1-2-4-10(9)23-14-8(5-6-11(22-14)16(18,19)20)12-13(15(23)24)25-7-21-12/h1-7H
InChIKeyUHKLYZRSZJUTCY-UHFFFAOYSA-N
XLogP4.20
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.70
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-7-(trifluoromethyl)-[1,3]oxazolo[5,4-c][1,8]naphthyridin-4-one?
The IUPAC name of 5-(2-chlorophenyl)-7-(trifluoromethyl)-[1,3]oxazolo[5,4-c][1,8]naphthyridin-4-one (CID 164562834) is 5-(2-chlorophenyl)-7-(trifluoromethyl)-[1,3]oxazolo[5,4-c][1,8]naphthyridin-4-one.
What is the SMILES notation for 5-(2-chlorophenyl)-7-(trifluoromethyl)-[1,3]oxazolo[5,4-c][1,8]naphthyridin-4-one?
The canonical SMILES for 5-(2-chlorophenyl)-7-(trifluoromethyl)-[1,3]oxazolo[5,4-c][1,8]naphthyridin-4-one is O=c1c2ocnc2c2ccc(C(F)(F)F)nc2n1-c1ccccc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)-7-(trifluoromethyl)-[1,3]oxazolo[5,4-c][1,8]naphthyridin-4-one?
The InChIKey is UHKLYZRSZJUTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7ClF3N3O2/c17-9-3-1-2-4-10(9)23-14-8(5-6-11(22-14)16(18,19)20)12-13(15(23)24)25-7-21-12/h1-7H.
What are the key properties of 5-(2-chlorophenyl)-7-(trifluoromethyl)-[1,3]oxazolo[5,4-c][1,8]naphthyridin-4-one?
5-(2-chlorophenyl)-7-(trifluoromethyl)-[1,3]oxazolo[5,4-c][1,8]naphthyridin-4-one has a molecular weight of 365.70 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-7-(trifluoromethyl)-[1,3]oxazolo[5,4-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 164562834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).