4-[[6-[(2-oxo-3-phenyl-1,3-oxazolidin-4-yl)methyl]-2-pyridinyl]methyl]-3-phenyl-1,3-oxazolidin-2-one

C25H23N3O4 — CID 102099888

IUPAC4-[[6-[(2-oxo-3-phenyl-1,3-oxazolidin-4-yl)methyl]-2-pyridinyl]methyl]-3-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OCC(Cc2cccc(CC3COC(=O)N3c3ccccc3)n2)N1c1ccccc1
InChIInChI=1S/C25H23N3O4/c29-24-27(20-10-3-1-4-11-20)22(16-31-24)14-18-8-7-9-19(26-18)15-23-17-32-25(30)28(23)21-12-5-2-6-13-21/h1-13,22-23H,14-17H2
InChIKeyIQTJSZMOGOEWSD-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.22
Rot. Bonds6

About 4-[[6-[(2-oxo-3-phenyl-1,3-oxazolidin-4-yl)methyl]-2-pyridinyl]methyl]-3-phenyl-1,3-oxazolidin-2-one

4-[[6-[(2-oxo-3-phenyl-1,3-oxazolidin-4-yl)methyl]-2-pyridinyl]methyl]-3-phenyl-1,3-oxazolidin-2-one (PubChem CID 102099888) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is 4-[[6-[(2-oxo-3-phenyl-1,3-oxazolidin-4-yl)methyl]-2-pyridinyl]methyl]-3-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[[6-[(2-oxo-3-phenyl-1,3-oxazolidin-4-yl)methyl]-2-pyridinyl]methyl]-3-phenyl-1,3-oxazolidin-2-one
PubChem CID102099888
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name4-[[6-[(2-oxo-3-phenyl-1,3-oxazolidin-4-yl)methyl]-2-pyridinyl]methyl]-3-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OCC(Cc2cccc(CC3COC(=O)N3c3ccccc3)n2)N1c1ccccc1
InChIInChI=1S/C25H23N3O4/c29-24-27(20-10-3-1-4-11-20)22(16-31-24)14-18-8-7-9-19(26-18)15-23-17-32-25(30)28(23)21-12-5-2-6-13-21/h1-13,22-23H,14-17H2
InChIKeyIQTJSZMOGOEWSD-UHFFFAOYSA-N
XLogP4.22
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-[(2-oxo-3-phenyl-1,3-oxazolidin-4-yl)methyl]-2-pyridinyl]methyl]-3-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-[[6-[(2-oxo-3-phenyl-1,3-oxazolidin-4-yl)methyl]-2-pyridinyl]methyl]-3-phenyl-1,3-oxazolidin-2-one (CID 102099888) is 4-[[6-[(2-oxo-3-phenyl-1,3-oxazolidin-4-yl)methyl]-2-pyridinyl]methyl]-3-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[[6-[(2-oxo-3-phenyl-1,3-oxazolidin-4-yl)methyl]-2-pyridinyl]methyl]-3-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[[6-[(2-oxo-3-phenyl-1,3-oxazolidin-4-yl)methyl]-2-pyridinyl]methyl]-3-phenyl-1,3-oxazolidin-2-one is O=C1OCC(Cc2cccc(CC3COC(=O)N3c3ccccc3)n2)N1c1ccccc1.
What is the InChIKey of 4-[[6-[(2-oxo-3-phenyl-1,3-oxazolidin-4-yl)methyl]-2-pyridinyl]methyl]-3-phenyl-1,3-oxazolidin-2-one?
The InChIKey is IQTJSZMOGOEWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c29-24-27(20-10-3-1-4-11-20)22(16-31-24)14-18-8-7-9-19(26-18)15-23-17-32-25(30)28(23)21-12-5-2-6-13-21/h1-13,22-23H,14-17H2.
What are the key properties of 4-[[6-[(2-oxo-3-phenyl-1,3-oxazolidin-4-yl)methyl]-2-pyridinyl]methyl]-3-phenyl-1,3-oxazolidin-2-one?
4-[[6-[(2-oxo-3-phenyl-1,3-oxazolidin-4-yl)methyl]-2-pyridinyl]methyl]-3-phenyl-1,3-oxazolidin-2-one has a molecular weight of 429.48 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[(2-oxo-3-phenyl-1,3-oxazolidin-4-yl)methyl]-2-pyridinyl]methyl]-3-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 102099888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).