N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-phenoxybutanamide

C20H21ClN2O4 — CID 110327955

IUPACN-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)NCC1CN(c2cccc(Cl)c2)C(=O)O1
InChIInChI=1S/C20H21ClN2O4/c21-15-6-4-7-16(12-15)23-14-18(27-20(23)25)13-22-19(24)10-5-11-26-17-8-2-1-3-9-17/h1-4,6-9,12,18H,5,10-11,13-14H2,(H,22,24)
InChIKeyDYDXCHLMNTVSRU-UHFFFAOYSA-N
MW388.85 g/mol
LogP3.64
Rot. Bonds8

About N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-phenoxybutanamide

N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-phenoxybutanamide (PubChem CID 110327955) has the molecular formula C20H21ClN2O4 and a molecular weight of 388.85 g/mol. Its IUPAC name is N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-phenoxybutanamide
PubChem CID110327955
Molecular FormulaC20H21ClN2O4
Molecular Weight388.85 g/mol
Exact Mass388.12
IUPAC NameN-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)NCC1CN(c2cccc(Cl)c2)C(=O)O1
InChIInChI=1S/C20H21ClN2O4/c21-15-6-4-7-16(12-15)23-14-18(27-20(23)25)13-22-19(24)10-5-11-26-17-8-2-1-3-9-17/h1-4,6-9,12,18H,5,10-11,13-14H2,(H,22,24)
InChIKeyDYDXCHLMNTVSRU-UHFFFAOYSA-N
XLogP3.64
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-phenoxypropanamide
CID 110327898
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(2-methylphenoxy)acetamide
CID 16921088
N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenoxyacetamide
CID 110327784
benzyl N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 16921139
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-methoxybenzamide
CID 16921029
2-(2,5-dichlorophenoxy)-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]acetamide
CID 110310958
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methylbenzamide
CID 16921022
ethyl 2-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoacetate
CID 16921016
2-(4-chlorophenyl)-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]acetamide
CID 16920496
N-[[(5R)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]adamantane-1-carboxamide
CID 40926285
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methylbenzamide
CID 16921024
N-[[(5S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-fluorobenzamide
CID 40926357

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-phenoxybutanamide?
The IUPAC name of N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-phenoxybutanamide (CID 110327955) is N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-phenoxybutanamide?
The canonical SMILES for N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-phenoxybutanamide is O=C(CCCOc1ccccc1)NCC1CN(c2cccc(Cl)c2)C(=O)O1.
What is the InChIKey of N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-phenoxybutanamide?
The InChIKey is DYDXCHLMNTVSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O4/c21-15-6-4-7-16(12-15)23-14-18(27-20(23)25)13-22-19(24)10-5-11-26-17-8-2-1-3-9-17/h1-4,6-9,12,18H,5,10-11,13-14H2,(H,22,24).
What are the key properties of N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-phenoxybutanamide?
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-phenoxybutanamide has a molecular weight of 388.85 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-phenoxybutanamide is sourced from PubChem (CID 110327955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).