N-[[3-[4-(1H-imidazole-5-carbonyl)-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C18H20N4O4 — CID 18713383

IUPACN-[[3-[4-(1H-imidazole-5-carbonyl)-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2cc(C)c(C(=O)c3cnc[nH]3)c(C)c2)C(=O)O1
InChIInChI=1S/C18H20N4O4/c1-10-4-13(22-8-14(26-18(22)25)6-20-12(3)23)5-11(2)16(10)17(24)15-7-19-9-21-15/h4-5,7,9,14H,6,8H2,1-3H3,(H,19,21)(H,20,23)
InChIKeyDEADMMWQYIFRJO-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.72
Rot. Bonds5

About N-[[3-[4-(1H-imidazole-5-carbonyl)-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-[4-(1H-imidazole-5-carbonyl)-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 18713383) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[[3-[4-(1H-imidazole-5-carbonyl)-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[4-(1H-imidazole-5-carbonyl)-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID18713383
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC NameN-[[3-[4-(1H-imidazole-5-carbonyl)-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2cc(C)c(C(=O)c3cnc[nH]3)c(C)c2)C(=O)O1
InChIInChI=1S/C18H20N4O4/c1-10-4-13(22-8-14(26-18(22)25)6-20-12(3)23)5-11(2)16(10)17(24)15-7-19-9-21-15/h4-5,7,9,14H,6,8H2,1-3H3,(H,19,21)(H,20,23)
InChIKeyDEADMMWQYIFRJO-UHFFFAOYSA-N
XLogP1.72
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(5S)-3-[4-[4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1H-imidazole-5-carboxamide
CID 10099172
N-[[3-(3,5-dimethyl-4-prop-2-ynoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18713381
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20666078
N-[[(5S)-3-[3,5-dimethyl-4-(3-methylazetidin-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54057134
N-[[3-[4-(1-hydroxyprop-2-ynyl)-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18713384
N-[[(5S)-2-oxo-3-[4-(1H-pyrrole-2-carbonyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57081651
1-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,6-dimethylphenyl]pyrrole-3-carboxylic acid
CID 54268401
tris(N-[[(5S)-3-(3,5-difluoro-4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide);(5R)-3-(3,5-difluoro-4-methylphenyl)-5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 160853347
N-[[2-oxo-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21462605
N-[[3-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68698825
N-[[(5S)-2-oxo-3-(4-pyridin-3-ylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14987829
N-[[(5R)-3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54472628

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(1H-imidazole-5-carbonyl)-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[4-(1H-imidazole-5-carbonyl)-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 18713383) is N-[[3-[4-(1H-imidazole-5-carbonyl)-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[4-(1H-imidazole-5-carbonyl)-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[4-(1H-imidazole-5-carbonyl)-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2cc(C)c(C(=O)c3cnc[nH]3)c(C)c2)C(=O)O1.
What is the InChIKey of N-[[3-[4-(1H-imidazole-5-carbonyl)-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is DEADMMWQYIFRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-10-4-13(22-8-14(26-18(22)25)6-20-12(3)23)5-11(2)16(10)17(24)15-7-19-9-21-15/h4-5,7,9,14H,6,8H2,1-3H3,(H,19,21)(H,20,23).
What are the key properties of N-[[3-[4-(1H-imidazole-5-carbonyl)-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-[4-(1H-imidazole-5-carbonyl)-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 356.38 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(1H-imidazole-5-carbonyl)-3,5-dimethylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 18713383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).