N-[[2-oxo-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide

C15H20N2O3 — CID 14011280

IUPACN-[[2-oxo-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(C(C)C)cc2)C(=O)O1
InChIInChI=1S/C15H20N2O3/c1-10(2)12-4-6-13(7-5-12)17-9-14(20-15(17)19)8-16-11(3)18/h4-7,10,14H,8-9H2,1-3H3,(H,16,18)
InChIKeyXLZLIRFYWVMURC-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.27
Rot. Bonds4

About N-[[2-oxo-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[2-oxo-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 14011280) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[[2-oxo-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-oxo-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID14011280
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[[2-oxo-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(C(C)C)cc2)C(=O)O1
InChIInChI=1S/C15H20N2O3/c1-10(2)12-4-6-13(7-5-12)17-9-14(20-15(17)19)8-16-11(3)18/h4-7,10,14H,8-9H2,1-3H3,(H,16,18)
InChIKeyXLZLIRFYWVMURC-UHFFFAOYSA-N
XLogP2.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-oxo-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[2-oxo-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide (CID 14011280) is N-[[2-oxo-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-oxo-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[2-oxo-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(C(C)C)cc2)C(=O)O1.
What is the InChIKey of N-[[2-oxo-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is XLZLIRFYWVMURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(2)12-4-6-13(7-5-12)17-9-14(20-15(17)19)8-16-11(3)18/h4-7,10,14H,8-9H2,1-3H3,(H,16,18).
What are the key properties of N-[[2-oxo-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[2-oxo-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 276.34 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-oxo-3-(4-propan-2-ylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 14011280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).