2-methyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]morpholine-4-carboxamide

C16H21N3O4 — CID 47039688

IUPAC2-methyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]morpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2cccc(CN3CCOC3=O)c2)CCO1
InChIInChI=1S/C16H21N3O4/c1-12-10-18(5-7-22-12)15(20)17-14-4-2-3-13(9-14)11-19-6-8-23-16(19)21/h2-4,9,12H,5-8,10-11H2,1H3,(H,17,20)
InChIKeyYEYKUFVNKHKHFM-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.89
Rot. Bonds3

About 2-methyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]morpholine-4-carboxamide

2-methyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]morpholine-4-carboxamide (PubChem CID 47039688) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-methyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]morpholine-4-carboxamide
PubChem CID47039688
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name2-methyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]morpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2cccc(CN3CCOC3=O)c2)CCO1
InChIInChI=1S/C16H21N3O4/c1-12-10-18(5-7-22-12)15(20)17-14-4-2-3-13(9-14)11-19-6-8-23-16(19)21/h2-4,9,12H,5-8,10-11H2,1H3,(H,17,20)
InChIKeyYEYKUFVNKHKHFM-UHFFFAOYSA-N
XLogP1.89
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]morpholine-4-carboxamide?
The IUPAC name of 2-methyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]morpholine-4-carboxamide (CID 47039688) is 2-methyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]morpholine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]morpholine-4-carboxamide?
The canonical SMILES for 2-methyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]morpholine-4-carboxamide is CC1CN(C(=O)Nc2cccc(CN3CCOC3=O)c2)CCO1.
What is the InChIKey of 2-methyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]morpholine-4-carboxamide?
The InChIKey is YEYKUFVNKHKHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-12-10-18(5-7-22-12)15(20)17-14-4-2-3-13(9-14)11-19-6-8-23-16(19)21/h2-4,9,12H,5-8,10-11H2,1H3,(H,17,20).
What are the key properties of 2-methyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]morpholine-4-carboxamide?
2-methyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]morpholine-4-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 47039688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).