4-[[6-(4-fluorophenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole

C19H18FN3O3S — CID 56588676

IUPAC4-[[6-(4-fluorophenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCCc2nc(-c3ccc(F)cc3)ccc21
InChIInChI=1S/C19H18FN3O3S/c1-12-19(13(2)26-22-12)27(24,25)23-11-3-4-17-18(23)10-9-16(21-17)14-5-7-15(20)8-6-14/h5-10H,3-4,11H2,1-2H3
InChIKeyXXCGEFXFTXDHDW-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.63
Rot. Bonds3

About 4-[[6-(4-fluorophenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole

4-[[6-(4-fluorophenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 56588676) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-[[6-(4-fluorophenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[6-(4-fluorophenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole
PubChem CID56588676
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC Name4-[[6-(4-fluorophenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCCc2nc(-c3ccc(F)cc3)ccc21
InChIInChI=1S/C19H18FN3O3S/c1-12-19(13(2)26-22-12)27(24,25)23-11-3-4-17-18(23)10-9-16(21-17)14-5-7-15(20)8-6-14/h5-10H,3-4,11H2,1-2H3
InChIKeyXXCGEFXFTXDHDW-UHFFFAOYSA-N
XLogP3.63
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(4-fluorophenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[[6-(4-fluorophenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole (CID 56588676) is 4-[[6-(4-fluorophenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[[6-(4-fluorophenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[[6-(4-fluorophenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1S(=O)(=O)N1CCCc2nc(-c3ccc(F)cc3)ccc21.
What is the InChIKey of 4-[[6-(4-fluorophenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is XXCGEFXFTXDHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-12-19(13(2)26-22-12)27(24,25)23-11-3-4-17-18(23)10-9-16(21-17)14-5-7-15(20)8-6-14/h5-10H,3-4,11H2,1-2H3.
What are the key properties of 4-[[6-(4-fluorophenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole?
4-[[6-(4-fluorophenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 387.44 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(4-fluorophenyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 56588676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).