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

C20H20FN3O4S — CID 175941961

IUPAC3-(4-fluorophenyl)-5-methyl-4-[(6-methylsulfonyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)oxymethyl]-1,2-oxazole
SMILESCc1onc(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(S(C)(=O)=O)C2
InChIInChI=1S/C20H20FN3O4S/c1-13-17(20(23-28-13)14-3-6-16(21)7-4-14)12-27-19-8-5-15-11-24(29(2,25)26)10-9-18(15)22-19/h3-8H,9-12H2,1-2H3
InChIKeyVTLVNVBPFZMSRO-UHFFFAOYSA-N
MW417.46 g/mol
LogP3.08
Rot. Bonds5

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

3-(4-fluorophenyl)-5-methyl-4-[(6-methylsulfonyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)oxymethyl]-1,2-oxazole (PubChem CID 175941961) has the molecular formula C20H20FN3O4S and a molecular weight of 417.46 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-methyl-4-[(6-methylsulfonyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)oxymethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-methyl-4-[(6-methylsulfonyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)oxymethyl]-1,2-oxazole
PubChem CID175941961
Molecular FormulaC20H20FN3O4S
Molecular Weight417.46 g/mol
Exact Mass417.12
IUPAC Name3-(4-fluorophenyl)-5-methyl-4-[(6-methylsulfonyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)oxymethyl]-1,2-oxazole
SMILESCc1onc(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(S(C)(=O)=O)C2
InChIInChI=1S/C20H20FN3O4S/c1-13-17(20(23-28-13)14-3-6-16(21)7-4-14)12-27-19-8-5-15-11-24(29(2,25)26)10-9-18(15)22-19/h3-8H,9-12H2,1-2H3
InChIKeyVTLVNVBPFZMSRO-UHFFFAOYSA-N
XLogP3.08
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-methyl-4-[(6-methylsulfonyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)oxymethyl]-1,2-oxazole?
The IUPAC name of 3-(4-fluorophenyl)-5-methyl-4-[(6-methylsulfonyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)oxymethyl]-1,2-oxazole (CID 175941961) is 3-(4-fluorophenyl)-5-methyl-4-[(6-methylsulfonyl-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-methylsulfonyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)oxymethyl]-1,2-oxazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-methyl-4-[(6-methylsulfonyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)oxymethyl]-1,2-oxazole is Cc1onc(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(S(C)(=O)=O)C2.
What is the InChIKey of 3-(4-fluorophenyl)-5-methyl-4-[(6-methylsulfonyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)oxymethyl]-1,2-oxazole?
The InChIKey is VTLVNVBPFZMSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4S/c1-13-17(20(23-28-13)14-3-6-16(21)7-4-14)12-27-19-8-5-15-11-24(29(2,25)26)10-9-18(15)22-19/h3-8H,9-12H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-5-methyl-4-[(6-methylsulfonyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)oxymethyl]-1,2-oxazole?
3-(4-fluorophenyl)-5-methyl-4-[(6-methylsulfonyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)oxymethyl]-1,2-oxazole has a molecular weight of 417.46 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-methyl-4-[(6-methylsulfonyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)oxymethyl]-1,2-oxazole is sourced from PubChem (CID 175941961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).