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

C18H15ClN2O5 — CID 16921039

IUPACN-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCC1CN(c2cccc(Cl)c2)C(=O)O1)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H15ClN2O5/c19-12-2-1-3-13(7-12)21-9-14(26-18(21)23)8-20-17(22)11-4-5-15-16(6-11)25-10-24-15/h1-7,14H,8-10H2,(H,20,22)
InChIKeyQIIKMFMKKVZMML-UHFFFAOYSA-N
MW374.78 g/mol
LogP2.82
Rot. Bonds4

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

N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 16921039) has the molecular formula C18H15ClN2O5 and a molecular weight of 374.78 g/mol. Its IUPAC name is N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,3-benzodioxole-5-carboxamide
PubChem CID16921039
Molecular FormulaC18H15ClN2O5
Molecular Weight374.78 g/mol
Exact Mass374.07
IUPAC NameN-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCC1CN(c2cccc(Cl)c2)C(=O)O1)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H15ClN2O5/c19-12-2-1-3-13(7-12)21-9-14(26-18(21)23)8-20-17(22)11-4-5-15-16(6-11)25-10-24-15/h1-7,14H,8-10H2,(H,20,22)
InChIKeyQIIKMFMKKVZMML-UHFFFAOYSA-N
XLogP2.82
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.78
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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]-3-methoxybenzamide
CID 16921029
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methylbenzamide
CID 16921022
3,4-dimethyl-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 110327775
N-[[(5R)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]adamantane-1-carboxamide
CID 40926285
N-[[3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-(trifluoromethyl)benzamide
CID 16921978
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]oxolane-2-carboxamide
CID 110327953
N-[[3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3,4-dimethylbenzamide
CID 110327662
N-[[(5R)-3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxochromene-2-carboxamide
CID 40940886
N-[[(5S)-3-(1,3-benzodioxol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxochromene-2-carboxamide
CID 40940887
3-chloro-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]benzamide
CID 110710353

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,3-benzodioxole-5-carboxamide (CID 16921039) is N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,3-benzodioxole-5-carboxamide is O=C(NCC1CN(c2cccc(Cl)c2)C(=O)O1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is QIIKMFMKKVZMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O5/c19-12-2-1-3-13(7-12)21-9-14(26-18(21)23)8-20-17(22)11-4-5-15-16(6-11)25-10-24-15/h1-7,14H,8-10H2,(H,20,22).
What are the key properties of N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,3-benzodioxole-5-carboxamide?
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 374.78 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 16921039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).