3-(2-chloro-3-methoxyphenyl)-5-methoxy-1,3,4-oxadiazolidin-2-one

C10H11ClN2O4 — CID 70622312

IUPAC3-(2-chloro-3-methoxyphenyl)-5-methoxy-1,3,4-oxadiazolidin-2-one
SMILESCOc1cccc(N2NC(OC)OC2=O)c1Cl
InChIInChI=1S/C10H11ClN2O4/c1-15-7-5-3-4-6(8(7)11)13-10(14)17-9(12-13)16-2/h3-5,9,12H,1-2H3
InChIKeyJQCABCQVBINAMG-UHFFFAOYSA-N
MW258.66 g/mol
LogP1.74
Rot. Bonds3

About 3-(2-chloro-3-methoxyphenyl)-5-methoxy-1,3,4-oxadiazolidin-2-one

3-(2-chloro-3-methoxyphenyl)-5-methoxy-1,3,4-oxadiazolidin-2-one (PubChem CID 70622312) has the molecular formula C10H11ClN2O4 and a molecular weight of 258.66 g/mol. Its IUPAC name is 3-(2-chloro-3-methoxyphenyl)-5-methoxy-1,3,4-oxadiazolidin-2-one.

Molecular Properties

Compound Name3-(2-chloro-3-methoxyphenyl)-5-methoxy-1,3,4-oxadiazolidin-2-one
PubChem CID70622312
Molecular FormulaC10H11ClN2O4
Molecular Weight258.66 g/mol
Exact Mass258.04
IUPAC Name3-(2-chloro-3-methoxyphenyl)-5-methoxy-1,3,4-oxadiazolidin-2-one
SMILESCOc1cccc(N2NC(OC)OC2=O)c1Cl
InChIInChI=1S/C10H11ClN2O4/c1-15-7-5-3-4-6(8(7)11)13-10(14)17-9(12-13)16-2/h3-5,9,12H,1-2H3
InChIKeyJQCABCQVBINAMG-UHFFFAOYSA-N
XLogP1.74
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.66
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazolidin-2-one
CID 12807926
3-(2-Chloro-3-methoxyphenyl)-5-methoxy-1,3,4-oxadiazol-2-one
CID 20366960
3-(2-Chloro-3-methoxyphenyl)-5-ethoxy-1,3,4-oxadiazol-2-one
CID 20366965
5-(4-Chlorophenoxy)-3-(2-chlorophenyl)-1,3,4-oxadiazolidin-2-one
CID 57226038
3-(2,4-Dichloro-5-propan-2-yloxyphenyl)-5-propan-2-yl-1,3,4-oxadiazolidin-2-one
CID 70608470
3-(3-Chloro-2-methoxyphenyl)-5-ethoxy-1,3,4-oxadiazolidin-2-one
CID 70621997
3-(2-Chloro-3-methoxyphenyl)-5-ethoxy-1,3,4-oxadiazolidin-2-one
CID 70622048
[2-Acetyl-2-(2-chloro-3-methoxyphenyl)hydrazinyl] pentanoate
CID 90838890
5-(2-Chlorophenoxy)-3-(3-methoxyphenyl)-1,3,4-oxadiazol-2-one
CID 152137794
tert-butyl N-(2-chloro-3-methoxyphenyl)carbamate
CID 129986979

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-methoxyphenyl)-5-methoxy-1,3,4-oxadiazolidin-2-one?
The IUPAC name of 3-(2-chloro-3-methoxyphenyl)-5-methoxy-1,3,4-oxadiazolidin-2-one (CID 70622312) is 3-(2-chloro-3-methoxyphenyl)-5-methoxy-1,3,4-oxadiazolidin-2-one.
What is the SMILES notation for 3-(2-chloro-3-methoxyphenyl)-5-methoxy-1,3,4-oxadiazolidin-2-one?
The canonical SMILES for 3-(2-chloro-3-methoxyphenyl)-5-methoxy-1,3,4-oxadiazolidin-2-one is COc1cccc(N2NC(OC)OC2=O)c1Cl.
What is the InChIKey of 3-(2-chloro-3-methoxyphenyl)-5-methoxy-1,3,4-oxadiazolidin-2-one?
The InChIKey is JQCABCQVBINAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O4/c1-15-7-5-3-4-6(8(7)11)13-10(14)17-9(12-13)16-2/h3-5,9,12H,1-2H3.
What are the key properties of 3-(2-chloro-3-methoxyphenyl)-5-methoxy-1,3,4-oxadiazolidin-2-one?
3-(2-chloro-3-methoxyphenyl)-5-methoxy-1,3,4-oxadiazolidin-2-one has a molecular weight of 258.66 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-methoxyphenyl)-5-methoxy-1,3,4-oxadiazolidin-2-one is sourced from PubChem (CID 70622312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).