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

C13H9Cl2NO3 — CID 11277916

IUPAC3-(2,6-dichlorophenyl)-4-methoxy-3a,6a-dihydrocyclopenta[d][1,2]oxazol-6-one
SMILESCOC1=CC(=O)C2ON=C(c3c(Cl)cccc3Cl)C12
InChIInChI=1S/C13H9Cl2NO3/c1-18-9-5-8(17)13-11(9)12(16-19-13)10-6(14)3-2-4-7(10)15/h2-5,11,13H,1H3
InChIKeyKQNIEINWDUWVOX-UHFFFAOYSA-N
MW298.12 g/mol
LogP2.83
Rot. Bonds2

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

3-(2,6-dichlorophenyl)-4-methoxy-3a,6a-dihydrocyclopenta[d][1,2]oxazol-6-one (PubChem CID 11277916) has the molecular formula C13H9Cl2NO3 and a molecular weight of 298.12 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-4-methoxy-3a,6a-dihydrocyclopenta[d][1,2]oxazol-6-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-4-methoxy-3a,6a-dihydrocyclopenta[d][1,2]oxazol-6-one
PubChem CID11277916
Molecular FormulaC13H9Cl2NO3
Molecular Weight298.12 g/mol
Exact Mass297.00
IUPAC Name3-(2,6-dichlorophenyl)-4-methoxy-3a,6a-dihydrocyclopenta[d][1,2]oxazol-6-one
SMILESCOC1=CC(=O)C2ON=C(c3c(Cl)cccc3Cl)C12
InChIInChI=1S/C13H9Cl2NO3/c1-18-9-5-8(17)13-11(9)12(16-19-13)10-6(14)3-2-4-7(10)15/h2-5,11,13H,1H3
InChIKeyKQNIEINWDUWVOX-UHFFFAOYSA-N
XLogP2.83
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.12
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3Ars,6asr)-3-(2,6-dichlorophenyl)-6-methoxy-3a,6a-dihydrocyclopenta[d]isoxazol-4-one
CID 5246375
Vwfmxrafgzgtqh-lfnppyntsa-
CID 10564962
Pbqljwwutfmqoo-dgclksjqsa-
CID 10802808
Vwfmxrafgzgtqh-yqgzdwkcsa-
CID 10802957
Yndaulseyacqqw-kolcdficsa-
CID 12037574
Ywnkmgujlohsos-inwyiafrsa-
CID 21633393
3-(2,6-Dichlorophenyl)-5-propan-2-yl-4,5-dihydro-1,2-oxazole-4-carbaldehyde
CID 89275470
3-[3-(2,6-Dichlorophenyl)-5-propan-2-yl-4,5-dihydro-1,2-oxazol-4-yl]propanal
CID 89275510
4-[[5-Cyclopropyl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methoxy]cyclohexan-1-one
CID 163927034
3-(2,4-Dichlorophenyl)-4,4-dimethoxy-3a,7a-dihydro-1,2-benzoxazol-5-one
CID 9945971
3-(2,6-Dichlorophenyl)-4-hydroxy-3a,6a-dihydrocyclopenta[d][1,2]oxazol-6-one
CID 11208358
3-(2,6-Dichlorophenyl)-6-(2-methoxyethoxymethoxy)-3a,6a-dihydrocyclopenta[d][1,2]oxazol-4-one
CID 11280194

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-4-methoxy-3a,6a-dihydrocyclopenta[d][1,2]oxazol-6-one?
The IUPAC name of 3-(2,6-dichlorophenyl)-4-methoxy-3a,6a-dihydrocyclopenta[d][1,2]oxazol-6-one (CID 11277916) is 3-(2,6-dichlorophenyl)-4-methoxy-3a,6a-dihydrocyclopenta[d][1,2]oxazol-6-one.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-4-methoxy-3a,6a-dihydrocyclopenta[d][1,2]oxazol-6-one?
The canonical SMILES for 3-(2,6-dichlorophenyl)-4-methoxy-3a,6a-dihydrocyclopenta[d][1,2]oxazol-6-one is COC1=CC(=O)C2ON=C(c3c(Cl)cccc3Cl)C12.
What is the InChIKey of 3-(2,6-dichlorophenyl)-4-methoxy-3a,6a-dihydrocyclopenta[d][1,2]oxazol-6-one?
The InChIKey is KQNIEINWDUWVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO3/c1-18-9-5-8(17)13-11(9)12(16-19-13)10-6(14)3-2-4-7(10)15/h2-5,11,13H,1H3.
What are the key properties of 3-(2,6-dichlorophenyl)-4-methoxy-3a,6a-dihydrocyclopenta[d][1,2]oxazol-6-one?
3-(2,6-dichlorophenyl)-4-methoxy-3a,6a-dihydrocyclopenta[d][1,2]oxazol-6-one has a molecular weight of 298.12 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-4-methoxy-3a,6a-dihydrocyclopenta[d][1,2]oxazol-6-one is sourced from PubChem (CID 11277916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).