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

C19H18N2O4 — CID 14987724

IUPACN-[[3-[4-(4-formylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-c3ccc(C=O)cc3)cc2)C(=O)O1
InChIInChI=1S/C19H18N2O4/c1-13(23)20-10-18-11-21(19(24)25-18)17-8-6-16(7-9-17)15-4-2-14(12-22)3-5-15/h2-9,12,18H,10-11H2,1H3,(H,20,23)
InChIKeyAIENQNGUMYUMRI-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.63
Rot. Bonds5

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

N-[[3-[4-(4-formylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 14987724) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-[[3-[4-(4-formylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[4-(4-formylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID14987724
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-[[3-[4-(4-formylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-c3ccc(C=O)cc3)cc2)C(=O)O1
InChIInChI=1S/C19H18N2O4/c1-13(23)20-10-18-11-21(19(24)25-18)17-8-6-16(7-9-17)15-4-2-14(12-22)3-5-15/h2-9,12,18H,10-11H2,1H3,(H,20,23)
InChIKeyAIENQNGUMYUMRI-UHFFFAOYSA-N
XLogP2.63
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[[2-oxo-3-[4-(3-oxoprop-1-enyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54536616
N-[[(5R)-3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54472628
N-[[(5S)-2-oxo-3-(4-pyridin-3-ylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14987829
N-[[2-oxo-3-[4-[5-oxo-4-(prop-2-enylamino)cyclohepta-1,3,6-trien-1-yl]phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22403836
N-[[2-oxo-3-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14987746
N-[[(5S)-3-[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 173257508
but-2-yne;ethane;N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]acetamide
CID 90796180
N-[[3-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68698825
N-[[(5R)-3-[4-(1-hydroxyethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 151762391
N-[[3-[4-[4-[(dipropylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14987758
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20666078
N-[[3-[4-(2,5-dihydroxyphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14987839

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(4-formylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[4-(4-formylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 14987724) is N-[[3-[4-(4-formylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[4-(4-formylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[4-(4-formylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(-c3ccc(C=O)cc3)cc2)C(=O)O1.
What is the InChIKey of N-[[3-[4-(4-formylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is AIENQNGUMYUMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-13(23)20-10-18-11-21(19(24)25-18)17-8-6-16(7-9-17)15-4-2-14(12-22)3-5-15/h2-9,12,18H,10-11H2,1H3,(H,20,23).
What are the key properties of N-[[3-[4-(4-formylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-[4-(4-formylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 338.36 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(4-formylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 14987724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).