3-[3-(4-methoxy-2-methylsulfanylphenyl)propanoyl]-1,3-oxazolidin-2-one;toluene

C21H25NO4S — CID 143665477

IUPAC3-[3-(4-methoxy-2-methylsulfanylphenyl)propanoyl]-1,3-oxazolidin-2-one;toluene
SMILESCOc1ccc(CCC(=O)N2CCOC2=O)c(SC)c1.Cc1ccccc1
InChIInChI=1S/C14H17NO4S.C7H8/c1-18-11-5-3-10(12(9-11)20-2)4-6-13(16)15-7-8-19-14(15)17;1-7-5-3-2-4-6-7/h3,5,9H,4,6-8H2,1-2H3;2-6H,1H3
InChIKeyNOVMGSJECOJYSX-UHFFFAOYSA-N
MW387.50 g/mol
LogP4.32
Rot. Bonds5

About 3-[3-(4-methoxy-2-methylsulfanylphenyl)propanoyl]-1,3-oxazolidin-2-one;toluene

3-[3-(4-methoxy-2-methylsulfanylphenyl)propanoyl]-1,3-oxazolidin-2-one;toluene (PubChem CID 143665477) has the molecular formula C21H25NO4S and a molecular weight of 387.50 g/mol. Its IUPAC name is 3-[3-(4-methoxy-2-methylsulfanylphenyl)propanoyl]-1,3-oxazolidin-2-one;toluene.

Molecular Properties

Compound Name3-[3-(4-methoxy-2-methylsulfanylphenyl)propanoyl]-1,3-oxazolidin-2-one;toluene
PubChem CID143665477
Molecular FormulaC21H25NO4S
Molecular Weight387.50 g/mol
Exact Mass387.15
IUPAC Name3-[3-(4-methoxy-2-methylsulfanylphenyl)propanoyl]-1,3-oxazolidin-2-one;toluene
SMILESCOc1ccc(CCC(=O)N2CCOC2=O)c(SC)c1.Cc1ccccc1
InChIInChI=1S/C14H17NO4S.C7H8/c1-18-11-5-3-10(12(9-11)20-2)4-6-13(16)15-7-8-19-14(15)17;1-7-5-3-2-4-6-7/h3,5,9H,4,6-8H2,1-2H3;2-6H,1H3
InChIKeyNOVMGSJECOJYSX-UHFFFAOYSA-N
XLogP4.32
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(7-methoxy-2,3-dihydro-4H-thiochromen-4-ylidene)ethyl]-2,5-pyrrolidinedione
CID 6537937
Ethyl 2-[5-[(4-acetyloxyphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 76330397
3-[6-(4-Methoxyphenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 145975184
(4S)-4-benzyl-3-[(3S)-4,4,4-trifluoro-3-(4-methoxyphenyl)sulfanylbutanoyl]-1,3-oxazolidin-2-one
CID 12188807
Ethyl 2-[2,4-dioxo-5-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazolidin-3-yl]acetate
CID 76330046
3-(4-(Benzyloxy)phenyl)-1-(3-(tert-butylthio)pyrrolidin-1-yl)propan-1-one
CID 71805940
3-[2-(4-Phenylmethoxyphenyl)acetyl]-1,3-oxazolidin-2-one
CID 132141089
(4R)-4-benzyl-3-[3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one
CID 101498698
3-[(3R)-3-[(4-methoxyphenyl)methylsulfanyl]butanoyl]-1,3-oxazolidin-2-one
CID 102035682
3-[(3R)-3-[(4-methoxyphenyl)methylsulfanyl]-4-methylpentanoyl]-1,3-oxazolidin-2-one
CID 102035687
(4S)-3-[(2S,3S)-3-(4-methoxyphenyl)thiirane-2-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 102346179
3-[(2R,3S,4R)-4-hydroxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-thiochromene-3-carbonyl]-1,3-oxazolidin-2-one
CID 102512001

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxy-2-methylsulfanylphenyl)propanoyl]-1,3-oxazolidin-2-one;toluene?
The IUPAC name of 3-[3-(4-methoxy-2-methylsulfanylphenyl)propanoyl]-1,3-oxazolidin-2-one;toluene (CID 143665477) is 3-[3-(4-methoxy-2-methylsulfanylphenyl)propanoyl]-1,3-oxazolidin-2-one;toluene.
What is the SMILES notation for 3-[3-(4-methoxy-2-methylsulfanylphenyl)propanoyl]-1,3-oxazolidin-2-one;toluene?
The canonical SMILES for 3-[3-(4-methoxy-2-methylsulfanylphenyl)propanoyl]-1,3-oxazolidin-2-one;toluene is COc1ccc(CCC(=O)N2CCOC2=O)c(SC)c1.Cc1ccccc1.
What is the InChIKey of 3-[3-(4-methoxy-2-methylsulfanylphenyl)propanoyl]-1,3-oxazolidin-2-one;toluene?
The InChIKey is NOVMGSJECOJYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S.C7H8/c1-18-11-5-3-10(12(9-11)20-2)4-6-13(16)15-7-8-19-14(15)17;1-7-5-3-2-4-6-7/h3,5,9H,4,6-8H2,1-2H3;2-6H,1H3.
What are the key properties of 3-[3-(4-methoxy-2-methylsulfanylphenyl)propanoyl]-1,3-oxazolidin-2-one;toluene?
3-[3-(4-methoxy-2-methylsulfanylphenyl)propanoyl]-1,3-oxazolidin-2-one;toluene has a molecular weight of 387.50 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxy-2-methylsulfanylphenyl)propanoyl]-1,3-oxazolidin-2-one;toluene is sourced from PubChem (CID 143665477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).