3-(2,6-dichlorophenyl)-6-(2-methoxyethoxymethoxy)-3a,6a-dihydrocyclopenta[d][1,2]oxazol-4-one

C16H15Cl2NO5 — CID 11280194

IUPAC3-(2,6-dichlorophenyl)-6-(2-methoxyethoxymethoxy)-3a,6a-dihydrocyclopenta[d][1,2]oxazol-4-one
SMILESCOCCOCOC1=CC(=O)C2C(c3c(Cl)cccc3Cl)=NOC12
InChIInChI=1S/C16H15Cl2NO5/c1-21-5-6-22-8-23-12-7-11(20)14-15(19-24-16(12)14)13-9(17)3-2-4-10(13)18/h2-4,7,14,16H,5-6,8H2,1H3
InChIKeyINXJXTXTANQEKT-UHFFFAOYSA-N
MW372.20 g/mol
LogP2.82
Rot. Bonds7

About 3-(2,6-dichlorophenyl)-6-(2-methoxyethoxymethoxy)-3a,6a-dihydrocyclopenta[d][1,2]oxazol-4-one

3-(2,6-dichlorophenyl)-6-(2-methoxyethoxymethoxy)-3a,6a-dihydrocyclopenta[d][1,2]oxazol-4-one (PubChem CID 11280194) has the molecular formula C16H15Cl2NO5 and a molecular weight of 372.20 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-6-(2-methoxyethoxymethoxy)-3a,6a-dihydrocyclopenta[d][1,2]oxazol-4-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-6-(2-methoxyethoxymethoxy)-3a,6a-dihydrocyclopenta[d][1,2]oxazol-4-one
PubChem CID11280194
Molecular FormulaC16H15Cl2NO5
Molecular Weight372.20 g/mol
Exact Mass371.03
IUPAC Name3-(2,6-dichlorophenyl)-6-(2-methoxyethoxymethoxy)-3a,6a-dihydrocyclopenta[d][1,2]oxazol-4-one
SMILESCOCCOCOC1=CC(=O)C2C(c3c(Cl)cccc3Cl)=NOC12
InChIInChI=1S/C16H15Cl2NO5/c1-21-5-6-22-8-23-12-7-11(20)14-15(19-24-16(12)14)13-9(17)3-2-4-10(13)18/h2-4,7,14,16H,5-6,8H2,1H3
InChIKeyINXJXTXTANQEKT-UHFFFAOYSA-N
XLogP2.82
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.20
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-(2,6-dichlorophenyl)-6-(2-methoxyethoxymethoxy)-3a,6a-dihydrocyclopenta[d][1,2]oxazol-4-one with MolForge

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Related Compounds

(3Ars,6asr)-3-(2,6-dichlorophenyl)-6-methoxy-3a,6a-dihydrocyclopenta[d]isoxazol-4-one
CID 5246375
3-(2-Chlorophenyl)-4-oxo-6-acetoxy-3a,4,6,6a-tetrahydrofuro[3,4-d]-isoxazole
CID 14894097
3-(2-Chlorophenyl)-6-ethoxy-6,6a-dihydrofuro[3,4-d]isoxazol-4(3aH)-one
CID 494867
3-(2,4-Dichlorophenyl)-6-ethoxy-6,6a-dihydrofuro[3,4-d]isoxazol-4(3aH)-one
CID 494868
(3aS,6R,6aR)-3-(2-chlorophenyl)-6-ethoxy-6,6a-dihydro-3aH-furo[3,4-d][1,2]oxazol-4-one
CID 11969892
(3aS,6R,6aR)-3-(2,4-dichlorophenyl)-6-ethoxy-6,6a-dihydro-3aH-furo[3,4-d][1,2]oxazol-4-one
CID 11969893
Hkmizhgvknyejo-zkyqvnsysa-
CID 10496486
Pbqljwwutfmqoo-dgclksjqsa-
CID 10802808
[(3aR,6S,6aS)-3-(2-chlorophenyl)-4-oxo-6,6a-dihydro-3aH-furo[3,4-d][1,2]oxazol-6-yl] acetate
CID 21629179
[(3aR,6S,6aS)-3-(2,4-dichlorophenyl)-4-oxo-6,6a-dihydro-3aH-furo[3,4-d][1,2]oxazol-6-yl] acetate
CID 21629181
[3-(2,6-Dichlorophenyl)-4-oxo-3a,6a-dihydrocyclopenta[d][1,2]oxazol-6-yl] methanesulfonate
CID 5246374
[(3aR,6R,6aS)-3-(2,6-dichlorophenyl)-4-oxo-3a,5,6,6a-tetrahydrocyclopenta[d][1,2]oxazol-6-yl] acetate
CID 10711337

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-6-(2-methoxyethoxymethoxy)-3a,6a-dihydrocyclopenta[d][1,2]oxazol-4-one?
The IUPAC name of 3-(2,6-dichlorophenyl)-6-(2-methoxyethoxymethoxy)-3a,6a-dihydrocyclopenta[d][1,2]oxazol-4-one (CID 11280194) is 3-(2,6-dichlorophenyl)-6-(2-methoxyethoxymethoxy)-3a,6a-dihydrocyclopenta[d][1,2]oxazol-4-one.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-6-(2-methoxyethoxymethoxy)-3a,6a-dihydrocyclopenta[d][1,2]oxazol-4-one?
The canonical SMILES for 3-(2,6-dichlorophenyl)-6-(2-methoxyethoxymethoxy)-3a,6a-dihydrocyclopenta[d][1,2]oxazol-4-one is COCCOCOC1=CC(=O)C2C(c3c(Cl)cccc3Cl)=NOC12.
What is the InChIKey of 3-(2,6-dichlorophenyl)-6-(2-methoxyethoxymethoxy)-3a,6a-dihydrocyclopenta[d][1,2]oxazol-4-one?
The InChIKey is INXJXTXTANQEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO5/c1-21-5-6-22-8-23-12-7-11(20)14-15(19-24-16(12)14)13-9(17)3-2-4-10(13)18/h2-4,7,14,16H,5-6,8H2,1H3.
What are the key properties of 3-(2,6-dichlorophenyl)-6-(2-methoxyethoxymethoxy)-3a,6a-dihydrocyclopenta[d][1,2]oxazol-4-one?
3-(2,6-dichlorophenyl)-6-(2-methoxyethoxymethoxy)-3a,6a-dihydrocyclopenta[d][1,2]oxazol-4-one has a molecular weight of 372.20 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-6-(2-methoxyethoxymethoxy)-3a,6a-dihydrocyclopenta[d][1,2]oxazol-4-one is sourced from PubChem (CID 11280194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).