N-[[(2R)-3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N'-[(4-methylphenyl)methyl]oxamide

C21H22ClN3O4 — CID 7196105

IUPACN-[[(2R)-3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N'-[(4-methylphenyl)methyl]oxamide
SMILESCc1ccc(CNC(=O)C(=O)NC[C@H]2OCCN2C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H22ClN3O4/c1-14-2-4-15(5-3-14)12-23-19(26)20(27)24-13-18-25(10-11-29-18)21(28)16-6-8-17(22)9-7-16/h2-9,18H,10-13H2,1H3,(H,23,26)(H,24,27)/t18-/m1/s1
InChIKeyFSWCLOYHCBDTLE-GOSISDBHSA-N
MW415.88 g/mol
LogP1.88
Rot. Bonds5

About N-[[(2R)-3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N'-[(4-methylphenyl)methyl]oxamide

N-[[(2R)-3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N'-[(4-methylphenyl)methyl]oxamide (PubChem CID 7196105) has the molecular formula C21H22ClN3O4 and a molecular weight of 415.88 g/mol. Its IUPAC name is N-[[(2R)-3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N'-[(4-methylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN-[[(2R)-3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N'-[(4-methylphenyl)methyl]oxamide
PubChem CID7196105
Molecular FormulaC21H22ClN3O4
Molecular Weight415.88 g/mol
Exact Mass415.13
IUPAC NameN-[[(2R)-3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N'-[(4-methylphenyl)methyl]oxamide
SMILESCc1ccc(CNC(=O)C(=O)NC[C@H]2OCCN2C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H22ClN3O4/c1-14-2-4-15(5-3-14)12-23-19(26)20(27)24-13-18-25(10-11-29-18)21(28)16-6-8-17(22)9-7-16/h2-9,18H,10-13H2,1H3,(H,23,26)(H,24,27)/t18-/m1/s1
InChIKeyFSWCLOYHCBDTLE-GOSISDBHSA-N
XLogP1.88
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[(4-chlorophenyl)methyl]-N-[[3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
CID 18561526
N'-[(4-chlorophenyl)methyl]-N-[[3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide
CID 12005904
N'-[(4-chlorophenyl)methyl]-N-[[(2S)-3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide
CID 7196205
N'-[[3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 12005833
N'-[(4-chlorophenyl)methyl]-N-[[(2R)-3-(4-chlorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
CID 41140325
N'-[(4-chlorophenyl)methyl]-N-[[(2S)-3-(4-chlorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
CID 41140326
N-[[3-(1,3-benzodioxole-5-carbonyl)-1,3-oxazolidin-2-yl]methyl]-N'-benzyloxamide
CID 16801227
N-[2-(4-chlorophenyl)ethyl]-N'-[[(2S)-3-(4-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 41130121
N'-[(4-fluorophenyl)methyl]-N-[[(2S)-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]oxamide
CID 42399546
N-[[(2S)-3-(4-bromophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N'-[(4-chlorophenyl)methyl]oxamide
CID 42399575
N-[[(2R)-3-(4-bromophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N'-[(4-methylphenyl)methyl]oxamide
CID 42399574
N'-[(4-fluorophenyl)methyl]-N-[[(2S)-3-(thiophene-2-carbonyl)-1,3-oxazolidin-2-yl]methyl]oxamide
CID 7196214

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N'-[(4-methylphenyl)methyl]oxamide?
The IUPAC name of N-[[(2R)-3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N'-[(4-methylphenyl)methyl]oxamide (CID 7196105) is N-[[(2R)-3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N'-[(4-methylphenyl)methyl]oxamide.
What is the SMILES notation for N-[[(2R)-3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N'-[(4-methylphenyl)methyl]oxamide?
The canonical SMILES for N-[[(2R)-3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N'-[(4-methylphenyl)methyl]oxamide is Cc1ccc(CNC(=O)C(=O)NC[C@H]2OCCN2C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[[(2R)-3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N'-[(4-methylphenyl)methyl]oxamide?
The InChIKey is FSWCLOYHCBDTLE-GOSISDBHSA-N. The full InChI is InChI=1S/C21H22ClN3O4/c1-14-2-4-15(5-3-14)12-23-19(26)20(27)24-13-18-25(10-11-29-18)21(28)16-6-8-17(22)9-7-16/h2-9,18H,10-13H2,1H3,(H,23,26)(H,24,27)/t18-/m1/s1.
What are the key properties of N-[[(2R)-3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N'-[(4-methylphenyl)methyl]oxamide?
N-[[(2R)-3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N'-[(4-methylphenyl)methyl]oxamide has a molecular weight of 415.88 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-3-(4-chlorobenzoyl)-1,3-oxazolidin-2-yl]methyl]-N'-[(4-methylphenyl)methyl]oxamide is sourced from PubChem (CID 7196105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).