(5S)-5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one

C22H26N2O4 — CID 14368954

IUPAC(5S)-5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOc1ccc(N2C[C@H](CN3CCC(O)(c4ccccc4)CC3)OC2=O)cc1
InChIInChI=1S/C22H26N2O4/c1-27-19-9-7-18(8-10-19)24-16-20(28-21(24)25)15-23-13-11-22(26,12-14-23)17-5-3-2-4-6-17/h2-10,20,26H,11-16H2,1H3/t20-/m0/s1
InChIKeyHHPBCPWCYWKONJ-FQEVSTJZSA-N
MW382.46 g/mol
LogP3.00
Rot. Bonds5

About (5S)-5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one

(5S)-5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 14368954) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is (5S)-5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
PubChem CID14368954
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name(5S)-5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOc1ccc(N2C[C@H](CN3CCC(O)(c4ccccc4)CC3)OC2=O)cc1
InChIInChI=1S/C22H26N2O4/c1-27-19-9-7-18(8-10-19)24-16-20(28-21(24)25)15-23-13-11-22(26,12-14-23)17-5-3-2-4-6-17/h2-10,20,26H,11-16H2,1H3/t20-/m0/s1
InChIKeyHHPBCPWCYWKONJ-FQEVSTJZSA-N
XLogP3.00
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5S)-5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one with MolForge

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Related Compounds

Panamesine
CID 3047810
Cimoxatone
CID 52542
[(4R,5S)-3-(4-methoxyphenyl)-2-oxo-4-(3-phenylpropyl)-1,3-oxazolidin-5-yl]methyl 2-phenylacetate
CID 44413436
[(1R)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 25120700
5-((3-Ethylphenoxy)methyl)-3-phenyloxazolidin-2-one
CID 46887322
5-((4-Isopropylphenoxy)methyl)-3-phenyloxazolidin-2-one
CID 46887370
5-((3-Tert-butylphenoxy)methyl)-3-phenyloxazolidin-2-one
CID 46887371
4-(Benzyloxy)-1-{4-[(1-methylpyrrolidin-3-yl)oxy]-phenyl}pyridin-2(1H)-one
CID 53318592
5-((3-Isopropylphenoxy)methyl)-3-phenyloxazolidin-2-one
CID 46887369
[(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] N-[(4-methoxyphenyl)methyl]-N-phenylcarbamate bromide
CID 76309753
[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] N-[(3-methoxyphenyl)methyl]-N-phenylcarbamate bromide
CID 76313455
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-[(4-methoxyphenyl)methyl]-N-phenylcarbamate
CID 76313457

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one (CID 14368954) is (5S)-5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one is COc1ccc(N2C[C@H](CN3CCC(O)(c4ccccc4)CC3)OC2=O)cc1.
What is the InChIKey of (5S)-5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is HHPBCPWCYWKONJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-27-19-9-7-18(8-10-19)24-16-20(28-21(24)25)15-23-13-11-22(26,12-14-23)17-5-3-2-4-6-17/h2-10,20,26H,11-16H2,1H3/t20-/m0/s1.
What are the key properties of (5S)-5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
(5S)-5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 382.46 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 14368954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).