(5S)-5-(4-fluorophenyl)sulfanyl-5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-one

C20H14FNO2S — CID 122206087

IUPAC(5S)-5-(4-fluorophenyl)sulfanyl-5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-one
SMILESC[C@@]1(Sc2ccc(F)cc2)OC(c2cccc3ccccc23)=NC1=O
InChIInChI=1S/C20H14FNO2S/c1-20(25-15-11-9-14(21)10-12-15)19(23)22-18(24-20)17-8-4-6-13-5-2-3-7-16(13)17/h2-12H,1H3/t20-/m0/s1
InChIKeyCRBOFWPGKOBZRX-FQEVSTJZSA-N
MW351.40 g/mol
LogP4.79
Rot. Bonds3

About (5S)-5-(4-fluorophenyl)sulfanyl-5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-one

(5S)-5-(4-fluorophenyl)sulfanyl-5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-one (PubChem CID 122206087) has the molecular formula C20H14FNO2S and a molecular weight of 351.40 g/mol. Its IUPAC name is (5S)-5-(4-fluorophenyl)sulfanyl-5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-one.

Molecular Properties

Compound Name(5S)-5-(4-fluorophenyl)sulfanyl-5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-one
PubChem CID122206087
Molecular FormulaC20H14FNO2S
Molecular Weight351.40 g/mol
Exact Mass351.07
IUPAC Name(5S)-5-(4-fluorophenyl)sulfanyl-5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-one
SMILESC[C@@]1(Sc2ccc(F)cc2)OC(c2cccc3ccccc23)=NC1=O
InChIInChI=1S/C20H14FNO2S/c1-20(25-15-11-9-14(21)10-12-15)19(23)22-18(24-20)17-8-4-6-13-5-2-3-7-16(13)17/h2-12H,1H3/t20-/m0/s1
InChIKeyCRBOFWPGKOBZRX-FQEVSTJZSA-N
XLogP4.79
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-fluorophenyl)sulfanyl-5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-one?
The IUPAC name of (5S)-5-(4-fluorophenyl)sulfanyl-5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-one (CID 122206087) is (5S)-5-(4-fluorophenyl)sulfanyl-5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-one.
What is the SMILES notation for (5S)-5-(4-fluorophenyl)sulfanyl-5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-one?
The canonical SMILES for (5S)-5-(4-fluorophenyl)sulfanyl-5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-one is C[C@@]1(Sc2ccc(F)cc2)OC(c2cccc3ccccc23)=NC1=O.
What is the InChIKey of (5S)-5-(4-fluorophenyl)sulfanyl-5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-one?
The InChIKey is CRBOFWPGKOBZRX-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H14FNO2S/c1-20(25-15-11-9-14(21)10-12-15)19(23)22-18(24-20)17-8-4-6-13-5-2-3-7-16(13)17/h2-12H,1H3/t20-/m0/s1.
What are the key properties of (5S)-5-(4-fluorophenyl)sulfanyl-5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-one?
(5S)-5-(4-fluorophenyl)sulfanyl-5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-one has a molecular weight of 351.40 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-fluorophenyl)sulfanyl-5-methyl-2-naphthalen-1-yl-1,3-oxazol-4-one is sourced from PubChem (CID 122206087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).