5-[(4-methoxyphenoxy)methyl]-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one

C22H26N2O5S — CID 3751432

IUPAC5-[(4-methoxyphenoxy)methyl]-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(OCC2CN(C3CCN(C(=O)Cc4cccs4)CC3)C(=O)O2)cc1
InChIInChI=1S/C22H26N2O5S/c1-27-17-4-6-18(7-5-17)28-15-19-14-24(22(26)29-19)16-8-10-23(11-9-16)21(25)13-20-3-2-12-30-20/h2-7,12,16,19H,8-11,13-15H2,1H3
InChIKeyMINKEQNODKSWIN-UHFFFAOYSA-N
MW430.53 g/mol
LogP3.19
Rot. Bonds7

About 5-[(4-methoxyphenoxy)methyl]-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one

5-[(4-methoxyphenoxy)methyl]-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 3751432) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is 5-[(4-methoxyphenoxy)methyl]-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(4-methoxyphenoxy)methyl]-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID3751432
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC Name5-[(4-methoxyphenoxy)methyl]-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(OCC2CN(C3CCN(C(=O)Cc4cccs4)CC3)C(=O)O2)cc1
InChIInChI=1S/C22H26N2O5S/c1-27-17-4-6-18(7-5-17)28-15-19-14-24(22(26)29-19)16-8-10-23(11-9-16)21(25)13-20-3-2-12-30-20/h2-7,12,16,19H,8-11,13-15H2,1H3
InChIKeyMINKEQNODKSWIN-UHFFFAOYSA-N
XLogP3.19
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(4-methoxyphenoxy)methyl]-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-[1-(3-chlorothiophene-2-carbonyl)piperidin-4-yl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one
CID 4686280
5-[(4-methoxyphenoxy)methyl]-3-[1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3519144
3-[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-5-[(4-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 3864755
5-[(4-methoxyphenoxy)methyl]-3-[1-[3-(3-methylsulfanyl-5-oxo-4H-1,2,4-triazin-6-yl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 135403256
3-[1-(5-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-5-[(4-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
CID 23959993
methyl 4-methoxy-5-[4-[5-[(4-methoxyphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]sulfonylthiophene-3-carboxylate
CID 3282110
N-[2-(2,5-dimethoxyphenyl)ethyl]-4-[2-oxo-5-(phenoxymethyl)-1,3-oxazolidin-3-yl]piperidine-1-carbothioamide
CID 3866913
4-[(4-methoxyphenyl)methyl]-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one
CID 91890597
1-[4-(azepan-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110667085
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
2-(4-ethoxyphenyl)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
CID 108553940
N-(3-cyclopentyloxy-4-methoxyphenyl)-4-[2-oxo-5-(phenoxymethyl)-1,3-oxazolidin-3-yl]piperidine-1-carboxamide
CID 5006435

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenoxy)methyl]-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(4-methoxyphenoxy)methyl]-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one (CID 3751432) is 5-[(4-methoxyphenoxy)methyl]-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(4-methoxyphenoxy)methyl]-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(4-methoxyphenoxy)methyl]-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one is COc1ccc(OCC2CN(C3CCN(C(=O)Cc4cccs4)CC3)C(=O)O2)cc1.
What is the InChIKey of 5-[(4-methoxyphenoxy)methyl]-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is MINKEQNODKSWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-27-17-4-6-18(7-5-17)28-15-19-14-24(22(26)29-19)16-8-10-23(11-9-16)21(25)13-20-3-2-12-30-20/h2-7,12,16,19H,8-11,13-15H2,1H3.
What are the key properties of 5-[(4-methoxyphenoxy)methyl]-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
5-[(4-methoxyphenoxy)methyl]-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 430.53 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenoxy)methyl]-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3751432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).