N-(2-methoxypropyl)-3-(5-methyl-2-pyridinyl)-5-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)benzamide

C23H29N3O4 — CID 77304735

IUPACN-(2-methoxypropyl)-3-(5-methyl-2-pyridinyl)-5-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)benzamide
SMILESCOC(C)CNC(=O)c1cc(-c2ccc(C)cn2)cc(N2C(=O)OCC2C(C)C)c1
InChIInChI=1S/C23H29N3O4/c1-14(2)21-13-30-23(28)26(21)19-9-17(20-7-6-15(3)11-24-20)8-18(10-19)22(27)25-12-16(4)29-5/h6-11,14,16,21H,12-13H2,1-5H3,(H,25,27)
InChIKeyPVFZDOHFMHSEDB-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.80
Rot. Bonds7

About N-(2-methoxypropyl)-3-(5-methyl-2-pyridinyl)-5-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)benzamide

N-(2-methoxypropyl)-3-(5-methyl-2-pyridinyl)-5-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)benzamide (PubChem CID 77304735) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-(2-methoxypropyl)-3-(5-methyl-2-pyridinyl)-5-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)benzamide.

Molecular Properties

Compound NameN-(2-methoxypropyl)-3-(5-methyl-2-pyridinyl)-5-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)benzamide
PubChem CID77304735
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-(2-methoxypropyl)-3-(5-methyl-2-pyridinyl)-5-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)benzamide
SMILESCOC(C)CNC(=O)c1cc(-c2ccc(C)cn2)cc(N2C(=O)OCC2C(C)C)c1
InChIInChI=1S/C23H29N3O4/c1-14(2)21-13-30-23(28)26(21)19-9-17(20-7-6-15(3)11-24-20)8-18(10-19)22(27)25-12-16(4)29-5/h6-11,14,16,21H,12-13H2,1-5H3,(H,25,27)
InChIKeyPVFZDOHFMHSEDB-UHFFFAOYSA-N
XLogP3.80
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypropyl)-3-(5-methyl-2-pyridinyl)-5-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)benzamide?
The IUPAC name of N-(2-methoxypropyl)-3-(5-methyl-2-pyridinyl)-5-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)benzamide (CID 77304735) is N-(2-methoxypropyl)-3-(5-methyl-2-pyridinyl)-5-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)benzamide.
What is the SMILES notation for N-(2-methoxypropyl)-3-(5-methyl-2-pyridinyl)-5-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)benzamide?
The canonical SMILES for N-(2-methoxypropyl)-3-(5-methyl-2-pyridinyl)-5-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)benzamide is COC(C)CNC(=O)c1cc(-c2ccc(C)cn2)cc(N2C(=O)OCC2C(C)C)c1.
What is the InChIKey of N-(2-methoxypropyl)-3-(5-methyl-2-pyridinyl)-5-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)benzamide?
The InChIKey is PVFZDOHFMHSEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-14(2)21-13-30-23(28)26(21)19-9-17(20-7-6-15(3)11-24-20)8-18(10-19)22(27)25-12-16(4)29-5/h6-11,14,16,21H,12-13H2,1-5H3,(H,25,27).
What are the key properties of N-(2-methoxypropyl)-3-(5-methyl-2-pyridinyl)-5-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)benzamide?
N-(2-methoxypropyl)-3-(5-methyl-2-pyridinyl)-5-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)benzamide has a molecular weight of 411.50 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropyl)-3-(5-methyl-2-pyridinyl)-5-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)benzamide is sourced from PubChem (CID 77304735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).