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

C18H17ClN2O4 — CID 16921139

IUPACbenzyl N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
SMILESO=C(NCC1CN(c2cccc(Cl)c2)C(=O)O1)OCc1ccccc1
InChIInChI=1S/C18H17ClN2O4/c19-14-7-4-8-15(9-14)21-11-16(25-18(21)23)10-20-17(22)24-12-13-5-2-1-3-6-13/h1-9,16H,10-12H2,(H,20,22)
InChIKeyWMXBSRCZBZTUTD-UHFFFAOYSA-N
MW360.80 g/mol
LogP3.59
Rot. Bonds5

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

benzyl N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (PubChem CID 16921139) has the molecular formula C18H17ClN2O4 and a molecular weight of 360.80 g/mol. Its IUPAC name is benzyl N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
PubChem CID16921139
Molecular FormulaC18H17ClN2O4
Molecular Weight360.80 g/mol
Exact Mass360.09
IUPAC Namebenzyl N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
SMILESO=C(NCC1CN(c2cccc(Cl)c2)C(=O)O1)OCc1ccccc1
InChIInChI=1S/C18H17ClN2O4/c19-14-7-4-8-15(9-14)21-11-16(25-18(21)23)10-20-17(22)24-12-13-5-2-1-3-6-13/h1-9,16H,10-12H2,(H,20,22)
InChIKeyWMXBSRCZBZTUTD-UHFFFAOYSA-N
XLogP3.59
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 16920837
ethyl 2-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoacetate
CID 16921016
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methylbenzamide
CID 16921022
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
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]oxolane-2-carboxamide
CID 110327953
1-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 16923127
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 16922519
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]-1,3-benzodioxole-5-carboxamide
CID 16921039
N-[[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenylacetamide
CID 110328345

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
The IUPAC name of benzyl N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (CID 16921139) is benzyl N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
The canonical SMILES for benzyl N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is O=C(NCC1CN(c2cccc(Cl)c2)C(=O)O1)OCc1ccccc1.
What is the InChIKey of benzyl N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
The InChIKey is WMXBSRCZBZTUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4/c19-14-7-4-8-15(9-14)21-11-16(25-18(21)23)10-20-17(22)24-12-13-5-2-1-3-6-13/h1-9,16H,10-12H2,(H,20,22).
What are the key properties of benzyl N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
benzyl N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate has a molecular weight of 360.80 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is sourced from PubChem (CID 16921139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).