1-[2-[[6-(methoxymethyl)-2-methylsulfanylpyrimidin-4-yl]oxymethyl]morpholin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone

C24H28N4O5S — CID 3758279

IUPAC1-[2-[[6-(methoxymethyl)-2-methylsulfanylpyrimidin-4-yl]oxymethyl]morpholin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
SMILESCOCc1cc(OCC2CN(C(=O)Cc3nc(-c4ccccc4)oc3C)CCO2)nc(SC)n1
InChIInChI=1S/C24H28N4O5S/c1-16-20(26-23(33-16)17-7-5-4-6-8-17)12-22(29)28-9-10-31-19(13-28)15-32-21-11-18(14-30-2)25-24(27-21)34-3/h4-8,11,19H,9-10,12-15H2,1-3H3
InChIKeySGORQZTWGDKMLP-UHFFFAOYSA-N
MW484.58 g/mol
LogP3.16
Rot. Bonds9

About 1-[2-[[6-(methoxymethyl)-2-methylsulfanylpyrimidin-4-yl]oxymethyl]morpholin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone

1-[2-[[6-(methoxymethyl)-2-methylsulfanylpyrimidin-4-yl]oxymethyl]morpholin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone (PubChem CID 3758279) has the molecular formula C24H28N4O5S and a molecular weight of 484.58 g/mol. Its IUPAC name is 1-[2-[[6-(methoxymethyl)-2-methylsulfanylpyrimidin-4-yl]oxymethyl]morpholin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[2-[[6-(methoxymethyl)-2-methylsulfanylpyrimidin-4-yl]oxymethyl]morpholin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
PubChem CID3758279
Molecular FormulaC24H28N4O5S
Molecular Weight484.58 g/mol
Exact Mass484.18
IUPAC Name1-[2-[[6-(methoxymethyl)-2-methylsulfanylpyrimidin-4-yl]oxymethyl]morpholin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
SMILESCOCc1cc(OCC2CN(C(=O)Cc3nc(-c4ccccc4)oc3C)CCO2)nc(SC)n1
InChIInChI=1S/C24H28N4O5S/c1-16-20(26-23(33-16)17-7-5-4-6-8-17)12-22(29)28-9-10-31-19(13-28)15-32-21-11-18(14-30-2)25-24(27-21)34-3/h4-8,11,19H,9-10,12-15H2,1-3H3
InChIKeySGORQZTWGDKMLP-UHFFFAOYSA-N
XLogP3.16
TPSA99.81 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-[2-[[6-(methoxymethyl)-2-methylsulfanylpyrimidin-4-yl]oxymethyl]morpholin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone with MolForge

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Related Compounds

1-[2-[(5-methyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxymethyl]morpholin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 3750017
4-[3-methoxy-4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]morpholin-2-yl]methoxy]phenyl]butan-2-one
CID 3817337
1-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 3795731
[3-[[2-[[6-(methoxymethyl)-2-methylsulfanylpyrimidin-4-yl]oxymethyl]morpholin-4-yl]methyl]phenyl] acetate
CID 3772166
2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-phenylmorpholin-4-yl)ethanone
CID 110629799
2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-phenylmorpholin-4-yl)ethanone
CID 110354510
1-(2-ethylmorpholin-4-yl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone
CID 43070547
N-[(3R,4S)-4-hydroxy-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidin-3-yl]-2-methoxyacetamide
CID 146039683
1-(4-acetylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 36708636
2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methylmorpholin-4-yl)ethanone
CID 110631395
1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 119167546
1-(4-aminopiperidin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 119374953

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[6-(methoxymethyl)-2-methylsulfanylpyrimidin-4-yl]oxymethyl]morpholin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone?
The IUPAC name of 1-[2-[[6-(methoxymethyl)-2-methylsulfanylpyrimidin-4-yl]oxymethyl]morpholin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone (CID 3758279) is 1-[2-[[6-(methoxymethyl)-2-methylsulfanylpyrimidin-4-yl]oxymethyl]morpholin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone.
What is the SMILES notation for 1-[2-[[6-(methoxymethyl)-2-methylsulfanylpyrimidin-4-yl]oxymethyl]morpholin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone?
The canonical SMILES for 1-[2-[[6-(methoxymethyl)-2-methylsulfanylpyrimidin-4-yl]oxymethyl]morpholin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone is COCc1cc(OCC2CN(C(=O)Cc3nc(-c4ccccc4)oc3C)CCO2)nc(SC)n1.
What is the InChIKey of 1-[2-[[6-(methoxymethyl)-2-methylsulfanylpyrimidin-4-yl]oxymethyl]morpholin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone?
The InChIKey is SGORQZTWGDKMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5S/c1-16-20(26-23(33-16)17-7-5-4-6-8-17)12-22(29)28-9-10-31-19(13-28)15-32-21-11-18(14-30-2)25-24(27-21)34-3/h4-8,11,19H,9-10,12-15H2,1-3H3.
What are the key properties of 1-[2-[[6-(methoxymethyl)-2-methylsulfanylpyrimidin-4-yl]oxymethyl]morpholin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone?
1-[2-[[6-(methoxymethyl)-2-methylsulfanylpyrimidin-4-yl]oxymethyl]morpholin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone has a molecular weight of 484.58 g/mol, XLogP of 3.16, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[6-(methoxymethyl)-2-methylsulfanylpyrimidin-4-yl]oxymethyl]morpholin-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone is sourced from PubChem (CID 3758279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).