3-(4-fluorophenyl)-5-methyl-4-[[6-(1-methylsulfonylazetidin-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]oxymethyl]-1,2-oxazole

C23H25FN4O4S — CID 175472934

IUPAC3-(4-fluorophenyl)-5-methyl-4-[[6-(1-methylsulfonylazetidin-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]oxymethyl]-1,2-oxazole
SMILESCc1onc(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C1CN(S(C)(=O)=O)C1)C2
InChIInChI=1S/C23H25FN4O4S/c1-15-20(23(26-32-15)16-3-6-18(24)7-4-16)14-31-22-8-5-17-11-27(10-9-21(17)25-22)19-12-28(13-19)33(2,29)30/h3-8,19H,9-14H2,1-2H3
InChIKeyWUQTXVUXYDRCHX-UHFFFAOYSA-N
MW472.54 g/mol
LogP2.77
Rot. Bonds6

About 3-(4-fluorophenyl)-5-methyl-4-[[6-(1-methylsulfonylazetidin-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]oxymethyl]-1,2-oxazole

3-(4-fluorophenyl)-5-methyl-4-[[6-(1-methylsulfonylazetidin-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]oxymethyl]-1,2-oxazole (PubChem CID 175472934) has the molecular formula C23H25FN4O4S and a molecular weight of 472.54 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-methyl-4-[[6-(1-methylsulfonylazetidin-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]oxymethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-methyl-4-[[6-(1-methylsulfonylazetidin-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]oxymethyl]-1,2-oxazole
PubChem CID175472934
Molecular FormulaC23H25FN4O4S
Molecular Weight472.54 g/mol
Exact Mass472.16
IUPAC Name3-(4-fluorophenyl)-5-methyl-4-[[6-(1-methylsulfonylazetidin-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]oxymethyl]-1,2-oxazole
SMILESCc1onc(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C1CN(S(C)(=O)=O)C1)C2
InChIInChI=1S/C23H25FN4O4S/c1-15-20(23(26-32-15)16-3-6-18(24)7-4-16)14-31-22-8-5-17-11-27(10-9-21(17)25-22)19-12-28(13-19)33(2,29)30/h3-8,19H,9-14H2,1-2H3
InChIKeyWUQTXVUXYDRCHX-UHFFFAOYSA-N
XLogP2.77
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(4-fluorophenyl)-5-methyl-4-[[6-(1-methylsulfonylazetidin-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]oxymethyl]-1,2-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-methyl-4-[[6-(1-methylsulfonylazetidin-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]oxymethyl]-1,2-oxazole?
The IUPAC name of 3-(4-fluorophenyl)-5-methyl-4-[[6-(1-methylsulfonylazetidin-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]oxymethyl]-1,2-oxazole (CID 175472934) is 3-(4-fluorophenyl)-5-methyl-4-[[6-(1-methylsulfonylazetidin-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]oxymethyl]-1,2-oxazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-methyl-4-[[6-(1-methylsulfonylazetidin-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]oxymethyl]-1,2-oxazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-methyl-4-[[6-(1-methylsulfonylazetidin-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]oxymethyl]-1,2-oxazole is Cc1onc(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C1CN(S(C)(=O)=O)C1)C2.
What is the InChIKey of 3-(4-fluorophenyl)-5-methyl-4-[[6-(1-methylsulfonylazetidin-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]oxymethyl]-1,2-oxazole?
The InChIKey is WUQTXVUXYDRCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O4S/c1-15-20(23(26-32-15)16-3-6-18(24)7-4-16)14-31-22-8-5-17-11-27(10-9-21(17)25-22)19-12-28(13-19)33(2,29)30/h3-8,19H,9-14H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-5-methyl-4-[[6-(1-methylsulfonylazetidin-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]oxymethyl]-1,2-oxazole?
3-(4-fluorophenyl)-5-methyl-4-[[6-(1-methylsulfonylazetidin-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]oxymethyl]-1,2-oxazole has a molecular weight of 472.54 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-methyl-4-[[6-(1-methylsulfonylazetidin-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]oxymethyl]-1,2-oxazole is sourced from PubChem (CID 175472934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).