[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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Related Compounds

3-(2-Chlorophenyl)-5-methylisoxazol-4-yl 4-methylpiperazinyl ketone
CID 798832
[3-(2-Chloro-phenyl)-5-methyl-isoxazol-4-yl]-piperidin-1-yl-methanone
CID 700029
[3-(2-chloro-6-fluorophenyl)-5-methylisoxazol-4-yl][2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl]methanone
CID 2797972
[3-(2,6-Dichloro-phenyl)-5-methyl-isoxazol-4-yl]-piperidin-1-yl-methanone
CID 743794
3-(2-chlorophenyl)-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide
CID 707574
Azepan-1-yl-[3-(2-chloro-phenyl)-5-methyl-isoxazol-4-yl]-methanone
CID 717954
N-benzyl-3-(2,6-dichlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 1368511
3-(2-chloro-6-fluorophenyl)-N-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide
CID 2374581
3-(2-chloro-6-fluorophenyl)-N-cyclohexyl-N,5-dimethyl-4-isoxazolecarboxamide
CID 2813901
4-[3-(2-Chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazine-1-carbaldehyde
CID 3555310
4-{[3-(2-Chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}-2,6-dimethylmorpholine
CID 627025
1-{[3-(2-Chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}-4-phenylpiperazine
CID 1050462

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).