(4R)-3-[(4-methoxyphenyl)methyl]-4-thiophen-3-yl-1,3-oxazolidin-2-one

C15H15NO3S — CID 138978443

IUPAC(4R)-3-[(4-methoxyphenyl)methyl]-4-thiophen-3-yl-1,3-oxazolidin-2-one
SMILESCOc1ccc(CN2C(=O)OC[C@H]2c2ccsc2)cc1
InChIInChI=1S/C15H15NO3S/c1-18-13-4-2-11(3-5-13)8-16-14(9-19-15(16)17)12-6-7-20-10-12/h2-7,10,14H,8-9H2,1H3/t14-/m0/s1
InChIKeyLFWBEBZPZCMDDV-AWEZNQCLSA-N
MW289.36 g/mol
LogP3.45
Rot. Bonds4

About (4R)-3-[(4-methoxyphenyl)methyl]-4-thiophen-3-yl-1,3-oxazolidin-2-one

(4R)-3-[(4-methoxyphenyl)methyl]-4-thiophen-3-yl-1,3-oxazolidin-2-one (PubChem CID 138978443) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is (4R)-3-[(4-methoxyphenyl)methyl]-4-thiophen-3-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(4-methoxyphenyl)methyl]-4-thiophen-3-yl-1,3-oxazolidin-2-one
PubChem CID138978443
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name(4R)-3-[(4-methoxyphenyl)methyl]-4-thiophen-3-yl-1,3-oxazolidin-2-one
SMILESCOc1ccc(CN2C(=O)OC[C@H]2c2ccsc2)cc1
InChIInChI=1S/C15H15NO3S/c1-18-13-4-2-11(3-5-13)8-16-14(9-19-15(16)17)12-6-7-20-10-12/h2-7,10,14H,8-9H2,1H3/t14-/m0/s1
InChIKeyLFWBEBZPZCMDDV-AWEZNQCLSA-N
XLogP3.45
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(4-Methoxyphenyl)methyl][1-(thiophen-2-yl)propan-2-yl]amine
CID 4868415
N-ethyl-2-(4-methylphenoxy)-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 67510513
N-cyclopropyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67510848
N-ethyl-2-(4-methylphenoxy)-N-(thiophen-3-ylmethyl)acetamide
CID 67510971
N-methyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67511212
2-(4-methylphenoxy)-N-propyl-N-(thiophen-2-ylmethyl)acetamide
CID 67511470
2-(4-methylphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 67511579
2-(4-methylphenoxy)-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 67512058
N-ethyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67512098
N-ethyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 67512330
N-(2-hydroxyethyl)-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 137635551
2-(4-methylphenoxy)-N-(2-methylpropyl)-N-(thiophen-2-ylmethyl)acetamide
CID 137640617

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(4-methoxyphenyl)methyl]-4-thiophen-3-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(4-methoxyphenyl)methyl]-4-thiophen-3-yl-1,3-oxazolidin-2-one (CID 138978443) is (4R)-3-[(4-methoxyphenyl)methyl]-4-thiophen-3-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(4-methoxyphenyl)methyl]-4-thiophen-3-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(4-methoxyphenyl)methyl]-4-thiophen-3-yl-1,3-oxazolidin-2-one is COc1ccc(CN2C(=O)OC[C@H]2c2ccsc2)cc1.
What is the InChIKey of (4R)-3-[(4-methoxyphenyl)methyl]-4-thiophen-3-yl-1,3-oxazolidin-2-one?
The InChIKey is LFWBEBZPZCMDDV-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-18-13-4-2-11(3-5-13)8-16-14(9-19-15(16)17)12-6-7-20-10-12/h2-7,10,14H,8-9H2,1H3/t14-/m0/s1.
What are the key properties of (4R)-3-[(4-methoxyphenyl)methyl]-4-thiophen-3-yl-1,3-oxazolidin-2-one?
(4R)-3-[(4-methoxyphenyl)methyl]-4-thiophen-3-yl-1,3-oxazolidin-2-one has a molecular weight of 289.36 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(4-methoxyphenyl)methyl]-4-thiophen-3-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 138978443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).