2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1-morpholin-4-ylethanone

C18H22N2O3S — CID 3235915

IUPAC2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1-morpholin-4-ylethanone
SMILESCc1ccc(-c2nc(CSCC(=O)N3CCOCC3)c(C)o2)cc1
InChIInChI=1S/C18H22N2O3S/c1-13-3-5-15(6-4-13)18-19-16(14(2)23-18)11-24-12-17(21)20-7-9-22-10-8-20/h3-6H,7-12H2,1-2H3
InChIKeyMVBZQHYHTCFITG-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.05
Rot. Bonds5

About 2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1-morpholin-4-ylethanone

2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1-morpholin-4-ylethanone (PubChem CID 3235915) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1-morpholin-4-ylethanone
PubChem CID3235915
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1-morpholin-4-ylethanone
SMILESCc1ccc(-c2nc(CSCC(=O)N3CCOCC3)c(C)o2)cc1
InChIInChI=1S/C18H22N2O3S/c1-13-3-5-15(6-4-13)18-19-16(14(2)23-18)11-24-12-17(21)20-7-9-22-10-8-20/h3-6H,7-12H2,1-2H3
InChIKeyMVBZQHYHTCFITG-UHFFFAOYSA-N
XLogP3.05
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1-morpholin-4-ylethanone (CID 3235915) is 2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1-morpholin-4-ylethanone is Cc1ccc(-c2nc(CSCC(=O)N3CCOCC3)c(C)o2)cc1.
What is the InChIKey of 2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1-morpholin-4-ylethanone?
The InChIKey is MVBZQHYHTCFITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13-3-5-15(6-4-13)18-19-16(14(2)23-18)11-24-12-17(21)20-7-9-22-10-8-20/h3-6H,7-12H2,1-2H3.
What are the key properties of 2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1-morpholin-4-ylethanone?
2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1-morpholin-4-ylethanone has a molecular weight of 346.45 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 3235915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).