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

C29H31N3O5 — CID 69493099

IUPAC2-methyl-4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzoic acid
SMILESCc1cc(Oc2ccc(CN3CCC(N4C(=O)OCC4c4ccccc4)CC3)c(C)n2)ccc1C(=O)O
InChIInChI=1S/C29H31N3O5/c1-19-16-24(9-10-25(19)28(33)34)37-27-11-8-22(20(2)30-27)17-31-14-12-23(13-15-31)32-26(18-36-29(32)35)21-6-4-3-5-7-21/h3-11,16,23,26H,12-15,17-18H2,1-2H3,(H,33,34)
InChIKeyRNHORXAMEDWIKJ-UHFFFAOYSA-N
MW501.58 g/mol
LogP5.35
Rot. Bonds7

About 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

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 (PubChem CID 69493099) has the molecular formula C29H31N3O5 and a molecular weight of 501.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-methyl-4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzoic acid
PubChem CID69493099
Molecular FormulaC29H31N3O5
Molecular Weight501.58 g/mol
Exact Mass501.23
IUPAC Name2-methyl-4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzoic acid
SMILESCc1cc(Oc2ccc(CN3CCC(N4C(=O)OCC4c4ccccc4)CC3)c(C)n2)ccc1C(=O)O
InChIInChI=1S/C29H31N3O5/c1-19-16-24(9-10-25(19)28(33)34)37-27-11-8-22(20(2)30-27)17-31-14-12-23(13-15-31)32-26(18-36-29(32)35)21-6-4-3-5-7-21/h3-11,16,23,26H,12-15,17-18H2,1-2H3,(H,33,34)
InChIKeyRNHORXAMEDWIKJ-UHFFFAOYSA-N
XLogP5.35
TPSA92.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.58
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(Oc2ccc(CN3CCC(N4C(=O)OCC4c4ccccc4)CC3)c(C)n2)ccc1C(=O)O.
What is the InChIKey of 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?
The InChIKey is RNHORXAMEDWIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O5/c1-19-16-24(9-10-25(19)28(33)34)37-27-11-8-22(20(2)30-27)17-31-14-12-23(13-15-31)32-26(18-36-29(32)35)21-6-4-3-5-7-21/h3-11,16,23,26H,12-15,17-18H2,1-2H3,(H,33,34).
What are the key properties of 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?
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 has a molecular weight of 501.58 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 69493099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).