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

C14H17NO4S — CID 143665478

IUPAC3-[3-(4-methoxy-2-methylsulfanylphenyl)propanoyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(CCC(=O)N2CCOC2=O)c(SC)c1
InChIInChI=1S/C14H17NO4S/c1-18-11-5-3-10(12(9-11)20-2)4-6-13(16)15-7-8-19-14(15)17/h3,5,9H,4,6-8H2,1-2H3
InChIKeyAISHELDVSLHLQP-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.33
Rot. Bonds5

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

3-[3-(4-methoxy-2-methylsulfanylphenyl)propanoyl]-1,3-oxazolidin-2-one (PubChem CID 143665478) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is 3-[3-(4-methoxy-2-methylsulfanylphenyl)propanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-(4-methoxy-2-methylsulfanylphenyl)propanoyl]-1,3-oxazolidin-2-one
PubChem CID143665478
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC Name3-[3-(4-methoxy-2-methylsulfanylphenyl)propanoyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(CCC(=O)N2CCOC2=O)c(SC)c1
InChIInChI=1S/C14H17NO4S/c1-18-11-5-3-10(12(9-11)20-2)4-6-13(16)15-7-8-19-14(15)17/h3,5,9H,4,6-8H2,1-2H3
InChIKeyAISHELDVSLHLQP-UHFFFAOYSA-N
XLogP2.33
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.33
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
3-Thiazolidineacetic acid, 5-[(4-methoxyphenyl)methyl]-2,4-dioxo-
CID 86087898
N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-N-methyloctanamide
CID 44462046
N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-N-methylheptanamide
CID 44462232
N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-N-methylhexanamide
CID 44462233
N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-N-methylpent-4-enamide
CID 44462235
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
(E)-N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-N-methylpent-3-enamide
CID 44462017
N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-N-methylpentanamide
CID 44462019
Ethyl 2-[5-[[4-(2-bromoethoxy)phenyl]methyl]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 76311981
Ethyl 2-[2,4-dioxo-5-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazolidin-3-yl]acetate
CID 76330046

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxy-2-methylsulfanylphenyl)propanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-(4-methoxy-2-methylsulfanylphenyl)propanoyl]-1,3-oxazolidin-2-one (CID 143665478) is 3-[3-(4-methoxy-2-methylsulfanylphenyl)propanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-(4-methoxy-2-methylsulfanylphenyl)propanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-(4-methoxy-2-methylsulfanylphenyl)propanoyl]-1,3-oxazolidin-2-one is COc1ccc(CCC(=O)N2CCOC2=O)c(SC)c1.
What is the InChIKey of 3-[3-(4-methoxy-2-methylsulfanylphenyl)propanoyl]-1,3-oxazolidin-2-one?
The InChIKey is AISHELDVSLHLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S/c1-18-11-5-3-10(12(9-11)20-2)4-6-13(16)15-7-8-19-14(15)17/h3,5,9H,4,6-8H2,1-2H3.
What are the key properties of 3-[3-(4-methoxy-2-methylsulfanylphenyl)propanoyl]-1,3-oxazolidin-2-one?
3-[3-(4-methoxy-2-methylsulfanylphenyl)propanoyl]-1,3-oxazolidin-2-one has a molecular weight of 295.36 g/mol, XLogP of 2.33, 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 is sourced from PubChem (CID 143665478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).