3-[(3R)-3-[(4-methoxyphenyl)methylsulfanyl]butanoyl]-1,3-oxazolidin-2-one

C15H19NO4S — CID 102035682

IUPAC3-[(3R)-3-[(4-methoxyphenyl)methylsulfanyl]butanoyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(CS[C@H](C)CC(=O)N2CCOC2=O)cc1
InChIInChI=1S/C15H19NO4S/c1-11(9-14(17)16-7-8-20-15(16)18)21-10-12-3-5-13(19-2)6-4-12/h3-6,11H,7-10H2,1-2H3/t11-/m1/s1
InChIKeyKZUKPLQKOJUYDU-LLVKDONJSA-N
MW309.39 g/mol
LogP2.69
Rot. Bonds6

About 3-[(3R)-3-[(4-methoxyphenyl)methylsulfanyl]butanoyl]-1,3-oxazolidin-2-one

3-[(3R)-3-[(4-methoxyphenyl)methylsulfanyl]butanoyl]-1,3-oxazolidin-2-one (PubChem CID 102035682) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-[(3R)-3-[(4-methoxyphenyl)methylsulfanyl]butanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3R)-3-[(4-methoxyphenyl)methylsulfanyl]butanoyl]-1,3-oxazolidin-2-one
PubChem CID102035682
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Name3-[(3R)-3-[(4-methoxyphenyl)methylsulfanyl]butanoyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(CS[C@H](C)CC(=O)N2CCOC2=O)cc1
InChIInChI=1S/C15H19NO4S/c1-11(9-14(17)16-7-8-20-15(16)18)21-10-12-3-5-13(19-2)6-4-12/h3-6,11H,7-10H2,1-2H3/t11-/m1/s1
InChIKeyKZUKPLQKOJUYDU-LLVKDONJSA-N
XLogP2.69
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(4-Methylphenoxy)ethyl]-1,3-thiazolidine-2,4-dione
CID 3240837
S-[3-acetylsulfanyl-8-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl-methylamino]-8-oxooctyl] ethanethioate
CID 9807742
2-(Dimethylamino)ethyl 4-(5-(4-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanoate
CID 2276336
Ethyl 2-[(5Z)-5-(4-methoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 5534504
2-Pyrrolidinone, 5-ethoxy-1-((2-(4-methoxyphenyl)ethenyl)sulfonyl)-
CID 6450616
S-[2-[2-[(2-methylphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-oxoethyl] ethanethioate
CID 9973610
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-methyldecanamide
CID 10433070
N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-N-methylnonanamide
CID 44462044
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

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-[(4-methoxyphenyl)methylsulfanyl]butanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3R)-3-[(4-methoxyphenyl)methylsulfanyl]butanoyl]-1,3-oxazolidin-2-one (CID 102035682) is 3-[(3R)-3-[(4-methoxyphenyl)methylsulfanyl]butanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3R)-3-[(4-methoxyphenyl)methylsulfanyl]butanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3R)-3-[(4-methoxyphenyl)methylsulfanyl]butanoyl]-1,3-oxazolidin-2-one is COc1ccc(CS[C@H](C)CC(=O)N2CCOC2=O)cc1.
What is the InChIKey of 3-[(3R)-3-[(4-methoxyphenyl)methylsulfanyl]butanoyl]-1,3-oxazolidin-2-one?
The InChIKey is KZUKPLQKOJUYDU-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19NO4S/c1-11(9-14(17)16-7-8-20-15(16)18)21-10-12-3-5-13(19-2)6-4-12/h3-6,11H,7-10H2,1-2H3/t11-/m1/s1.
What are the key properties of 3-[(3R)-3-[(4-methoxyphenyl)methylsulfanyl]butanoyl]-1,3-oxazolidin-2-one?
3-[(3R)-3-[(4-methoxyphenyl)methylsulfanyl]butanoyl]-1,3-oxazolidin-2-one has a molecular weight of 309.39 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-[(4-methoxyphenyl)methylsulfanyl]butanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 102035682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).