1-[2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-3-methylsulfonylpropan-1-one

C23H24FN3O5S — CID 156705216

IUPAC1-[2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-3-methylsulfonylpropan-1-one
SMILESCc1onc(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)CCS(C)(=O)=O)C2
InChIInChI=1S/C23H24FN3O5S/c1-15-19(23(26-32-15)16-3-6-18(24)7-4-16)14-31-21-8-5-17-13-27(11-9-20(17)25-21)22(28)10-12-33(2,29)30/h3-8H,9-14H2,1-2H3
InChIKeyDVVPHPORYSWGRG-UHFFFAOYSA-N
MW473.53 g/mol
LogP3.08
Rot. Bonds7

About 1-[2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-3-methylsulfonylpropan-1-one

1-[2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-3-methylsulfonylpropan-1-one (PubChem CID 156705216) has the molecular formula C23H24FN3O5S and a molecular weight of 473.53 g/mol. Its IUPAC name is 1-[2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-3-methylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-[2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-3-methylsulfonylpropan-1-one
PubChem CID156705216
Molecular FormulaC23H24FN3O5S
Molecular Weight473.53 g/mol
Exact Mass473.14
IUPAC Name1-[2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-3-methylsulfonylpropan-1-one
SMILESCc1onc(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)CCS(C)(=O)=O)C2
InChIInChI=1S/C23H24FN3O5S/c1-15-19(23(26-32-15)16-3-6-18(24)7-4-16)14-31-21-8-5-17-13-27(11-9-20(17)25-21)22(28)10-12-33(2,29)30/h3-8H,9-14H2,1-2H3
InChIKeyDVVPHPORYSWGRG-UHFFFAOYSA-N
XLogP3.08
TPSA102.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-3-methylsulfonylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-3-methylsulfonylpropan-1-one?
The IUPAC name of 1-[2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-3-methylsulfonylpropan-1-one (CID 156705216) is 1-[2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-3-methylsulfonylpropan-1-one.
What is the SMILES notation for 1-[2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-3-methylsulfonylpropan-1-one?
The canonical SMILES for 1-[2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-3-methylsulfonylpropan-1-one is Cc1onc(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)CCS(C)(=O)=O)C2.
What is the InChIKey of 1-[2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-3-methylsulfonylpropan-1-one?
The InChIKey is DVVPHPORYSWGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O5S/c1-15-19(23(26-32-15)16-3-6-18(24)7-4-16)14-31-21-8-5-17-13-27(11-9-20(17)25-21)22(28)10-12-33(2,29)30/h3-8H,9-14H2,1-2H3.
What are the key properties of 1-[2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-3-methylsulfonylpropan-1-one?
1-[2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-3-methylsulfonylpropan-1-one has a molecular weight of 473.53 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-3-methylsulfonylpropan-1-one is sourced from PubChem (CID 156705216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).