5-[2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one

C24H30N2O4 — CID 67940423

IUPAC5-[2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one
SMILESCOc1ccc(C2(O)CCN(CCC3CN(c4cccc(C)c4)C(=O)O3)CC2)cc1
InChIInChI=1S/C24H30N2O4/c1-18-4-3-5-20(16-18)26-17-22(30-23(26)27)10-13-25-14-11-24(28,12-15-25)19-6-8-21(29-2)9-7-19/h3-9,16,22,28H,10-15,17H2,1-2H3
InChIKeyMDWXTUWWQXJHNR-UHFFFAOYSA-N
MW410.51 g/mol
LogP3.70
Rot. Bonds6

About 5-[2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one

5-[2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one (PubChem CID 67940423) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 5-[2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one
PubChem CID67940423
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name5-[2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one
SMILESCOc1ccc(C2(O)CCN(CCC3CN(c4cccc(C)c4)C(=O)O3)CC2)cc1
InChIInChI=1S/C24H30N2O4/c1-18-4-3-5-20(16-18)26-17-22(30-23(26)27)10-13-25-14-11-24(28,12-15-25)19-6-8-21(29-2)9-7-19/h3-9,16,22,28H,10-15,17H2,1-2H3
InChIKeyMDWXTUWWQXJHNR-UHFFFAOYSA-N
XLogP3.70
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one with MolForge

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Related Compounds

5-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one
CID 67940450
5-[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 67940442
3-(3,4-dimethoxyphenyl)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one
CID 67904464
3-(4-chlorophenyl)-5-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 67940330
3-(4-chlorophenyl)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one
CID 14368962
(5S)-5-[[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 66694734
3,5-dimethoxy-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 110327773
5-(iodomethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one
CID 175360935
2-[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid
CID 115003677
methyl N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 110327805
3-(3-methylphenyl)-5-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 67940525
(5R)-5-(aminomethyl)-3-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 42281783

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-[2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one (CID 67940423) is 5-[2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one is COc1ccc(C2(O)CCN(CCC3CN(c4cccc(C)c4)C(=O)O3)CC2)cc1.
What is the InChIKey of 5-[2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is MDWXTUWWQXJHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-18-4-3-5-20(16-18)26-17-22(30-23(26)27)10-13-25-14-11-24(28,12-15-25)19-6-8-21(29-2)9-7-19/h3-9,16,22,28H,10-15,17H2,1-2H3.
What are the key properties of 5-[2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one?
5-[2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 410.51 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]ethyl]-3-(3-methylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 67940423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).