2-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]phenyl]acetic acid

C29H31N3O5 — CID 58835058

IUPAC2-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]phenyl]acetic acid
SMILESCc1nc(Oc2ccc(CC(=O)O)cc2)ccc1CN1CCC(N2C(=O)OC[C@H]2c2ccccc2)CC1
InChIInChI=1S/C29H31N3O5/c1-20-23(9-12-27(30-20)37-25-10-7-21(8-11-25)17-28(33)34)18-31-15-13-24(14-16-31)32-26(19-36-29(32)35)22-5-3-2-4-6-22/h2-12,24,26H,13-19H2,1H3,(H,33,34)/t26-/m0/s1
InChIKeyDTEMCQFYNWRQMM-SANMLTNESA-N
MW501.58 g/mol
LogP4.97
Rot. Bonds8

About 2-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]phenyl]acetic acid

2-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]phenyl]acetic acid (PubChem CID 58835058) has the molecular formula C29H31N3O5 and a molecular weight of 501.58 g/mol. Its IUPAC name is 2-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]phenyl]acetic acid
PubChem CID58835058
Molecular FormulaC29H31N3O5
Molecular Weight501.58 g/mol
Exact Mass501.23
IUPAC Name2-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]phenyl]acetic acid
SMILESCc1nc(Oc2ccc(CC(=O)O)cc2)ccc1CN1CCC(N2C(=O)OC[C@H]2c2ccccc2)CC1
InChIInChI=1S/C29H31N3O5/c1-20-23(9-12-27(30-20)37-25-10-7-21(8-11-25)17-28(33)34)18-31-15-13-24(14-16-31)32-26(19-36-29(32)35)22-5-3-2-4-6-22/h2-12,24,26H,13-19H2,1H3,(H,33,34)/t26-/m0/s1
InChIKeyDTEMCQFYNWRQMM-SANMLTNESA-N
XLogP4.97
TPSA92.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.58
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]phenyl]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

[4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]phenyl] acetate
CID 69494254
2-methyl-4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzoic acid
CID 69493099
2-methyl-4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzonitrile
CID 69494383
(4R)-4-(3-chlorophenyl)-3-[1-[[6-(4-methoxyphenoxy)-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 58835105
3-fluoro-4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzoic acid
CID 69493531
N-methyl-2-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]sulfanyl]phenyl]acetamide
CID 58835099
1-[1-[[6-(4-hydroxyphenoxy)-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-5-phenylimidazolidin-2-one
CID 69113409
(4R)-3-[1-[[6-(3,4-dihydroxyphenoxy)-2-methyl-3-pyridinyl]methyl]piperidin-4-yl]-4-phenyl-1,3-oxazolidine-2-thione
CID 89380470
2-[4-[[6-methyl-5-[[4-[4-(4-methylcyclohepta-1,4,6-trien-1-yl)-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]phenoxy]acetic acid
CID 143414081
N-cyclopropyl-4-[[5-[[4-(2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]benzamide
CID 73225307
2-[4-[[6-methyl-5-[[4-[3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]phenyl]sulfanylacetic acid
CID 69493189
2-[4-[[5-[[4-[3-cyclopentyl-5-(2-methylpropyl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]phenyl]acetic acid
CID 69493191

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]phenyl]acetic acid?
The IUPAC name of 2-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]phenyl]acetic acid (CID 58835058) is 2-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]phenyl]acetic acid is Cc1nc(Oc2ccc(CC(=O)O)cc2)ccc1CN1CCC(N2C(=O)OC[C@H]2c2ccccc2)CC1.
What is the InChIKey of 2-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]phenyl]acetic acid?
The InChIKey is DTEMCQFYNWRQMM-SANMLTNESA-N. The full InChI is InChI=1S/C29H31N3O5/c1-20-23(9-12-27(30-20)37-25-10-7-21(8-11-25)17-28(33)34)18-31-15-13-24(14-16-31)32-26(19-36-29(32)35)22-5-3-2-4-6-22/h2-12,24,26H,13-19H2,1H3,(H,33,34)/t26-/m0/s1.
What are the key properties of 2-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]phenyl]acetic acid?
2-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]phenyl]acetic acid has a molecular weight of 501.58 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]phenyl]acetic acid is sourced from PubChem (CID 58835058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).