[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-thiomorpholin-4-ylmethanone

C15H14ClFN2O2S — CID 2804980

IUPAC[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-thiomorpholin-4-ylmethanone
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCSCC1
InChIInChI=1S/C15H14ClFN2O2S/c1-9-12(15(20)19-5-7-22-8-6-19)14(18-21-9)13-10(16)3-2-4-11(13)17/h2-4H,5-8H2,1H3
InChIKeyIGLUJAYQSWPWLH-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.63
Rot. Bonds2

About [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-thiomorpholin-4-ylmethanone

[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-thiomorpholin-4-ylmethanone (PubChem CID 2804980) has the molecular formula C15H14ClFN2O2S and a molecular weight of 340.81 g/mol. Its IUPAC name is [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-thiomorpholin-4-ylmethanone
PubChem CID2804980
Molecular FormulaC15H14ClFN2O2S
Molecular Weight340.81 g/mol
Exact Mass340.04
IUPAC Name[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-thiomorpholin-4-ylmethanone
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCSCC1
InChIInChI=1S/C15H14ClFN2O2S/c1-9-12(15(20)19-5-7-22-8-6-19)14(18-21-9)13-10(16)3-2-4-11(13)17/h2-4H,5-8H2,1H3
InChIKeyIGLUJAYQSWPWLH-UHFFFAOYSA-N
XLogP3.63
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-thiomorpholin-4-ylmethanone (CID 2804980) is [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-thiomorpholin-4-ylmethanone is Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCSCC1.
What is the InChIKey of [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is IGLUJAYQSWPWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2S/c1-9-12(15(20)19-5-7-22-8-6-19)14(18-21-9)13-10(16)3-2-4-11(13)17/h2-4H,5-8H2,1H3.
What are the key properties of [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-thiomorpholin-4-ylmethanone?
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 340.81 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 2804980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).