2-(4-fluorophenyl)-5-methylsulfanyl-4-naphthalen-2-ylsulfonyl-1,3-oxazole

C20H14FNO3S2 — CID 138392110

IUPAC2-(4-fluorophenyl)-5-methylsulfanyl-4-naphthalen-2-ylsulfonyl-1,3-oxazole
SMILESCSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H14FNO3S2/c1-26-20-19(22-18(25-20)14-6-9-16(21)10-7-14)27(23,24)17-11-8-13-4-2-3-5-15(13)12-17/h2-12H,1H3
InChIKeyLPABURMFYLQLJZ-UHFFFAOYSA-N
MW399.47 g/mol
LogP5.19
Rot. Bonds4

About 2-(4-fluorophenyl)-5-methylsulfanyl-4-naphthalen-2-ylsulfonyl-1,3-oxazole

2-(4-fluorophenyl)-5-methylsulfanyl-4-naphthalen-2-ylsulfonyl-1,3-oxazole (PubChem CID 138392110) has the molecular formula C20H14FNO3S2 and a molecular weight of 399.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-methylsulfanyl-4-naphthalen-2-ylsulfonyl-1,3-oxazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-methylsulfanyl-4-naphthalen-2-ylsulfonyl-1,3-oxazole
PubChem CID138392110
Molecular FormulaC20H14FNO3S2
Molecular Weight399.47 g/mol
Exact Mass399.04
IUPAC Name2-(4-fluorophenyl)-5-methylsulfanyl-4-naphthalen-2-ylsulfonyl-1,3-oxazole
SMILESCSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H14FNO3S2/c1-26-20-19(22-18(25-20)14-6-9-16(21)10-7-14)27(23,24)17-11-8-13-4-2-3-5-15(13)12-17/h2-12H,1H3
InChIKeyLPABURMFYLQLJZ-UHFFFAOYSA-N
XLogP5.19
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.47
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-methylsulfanyl-4-naphthalen-2-ylsulfonyl-1,3-oxazole?
The IUPAC name of 2-(4-fluorophenyl)-5-methylsulfanyl-4-naphthalen-2-ylsulfonyl-1,3-oxazole (CID 138392110) is 2-(4-fluorophenyl)-5-methylsulfanyl-4-naphthalen-2-ylsulfonyl-1,3-oxazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-methylsulfanyl-4-naphthalen-2-ylsulfonyl-1,3-oxazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-methylsulfanyl-4-naphthalen-2-ylsulfonyl-1,3-oxazole is CSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-(4-fluorophenyl)-5-methylsulfanyl-4-naphthalen-2-ylsulfonyl-1,3-oxazole?
The InChIKey is LPABURMFYLQLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO3S2/c1-26-20-19(22-18(25-20)14-6-9-16(21)10-7-14)27(23,24)17-11-8-13-4-2-3-5-15(13)12-17/h2-12H,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-methylsulfanyl-4-naphthalen-2-ylsulfonyl-1,3-oxazole?
2-(4-fluorophenyl)-5-methylsulfanyl-4-naphthalen-2-ylsulfonyl-1,3-oxazole has a molecular weight of 399.47 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-methylsulfanyl-4-naphthalen-2-ylsulfonyl-1,3-oxazole is sourced from PubChem (CID 138392110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).