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

C12H7Cl2NO3 — CID 11208358

IUPAC3-(2,6-dichlorophenyl)-4-hydroxy-3a,6a-dihydrocyclopenta[d][1,2]oxazol-6-one
SMILESO=C1C=C(O)C2C(c3c(Cl)cccc3Cl)=NOC12
InChIInChI=1S/C12H7Cl2NO3/c13-5-2-1-3-6(14)9(5)11-10-7(16)4-8(17)12(10)18-15-11/h1-4,10,12,16H
InChIKeyJYFIVZMMYIVSSS-UHFFFAOYSA-N
MW284.10 g/mol
LogP2.74
Rot. Bonds1

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

3-(2,6-dichlorophenyl)-4-hydroxy-3a,6a-dihydrocyclopenta[d][1,2]oxazol-6-one (PubChem CID 11208358) has the molecular formula C12H7Cl2NO3 and a molecular weight of 284.10 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-4-hydroxy-3a,6a-dihydrocyclopenta[d][1,2]oxazol-6-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-4-hydroxy-3a,6a-dihydrocyclopenta[d][1,2]oxazol-6-one
PubChem CID11208358
Molecular FormulaC12H7Cl2NO3
Molecular Weight284.10 g/mol
Exact Mass282.98
IUPAC Name3-(2,6-dichlorophenyl)-4-hydroxy-3a,6a-dihydrocyclopenta[d][1,2]oxazol-6-one
SMILESO=C1C=C(O)C2C(c3c(Cl)cccc3Cl)=NOC12
InChIInChI=1S/C12H7Cl2NO3/c13-5-2-1-3-6(14)9(5)11-10-7(16)4-8(17)12(10)18-15-11/h1-4,10,12,16H
InChIKeyJYFIVZMMYIVSSS-UHFFFAOYSA-N
XLogP2.74
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.10
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 14998629
3-(2,6-Dichlorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole-4-carboxylic acid
CID 68314767
5-(2,4-dichlorophenyl)-2-(N-ethoxy-C-ethylcarbonimidoyl)-3-hydroxycyclohex-2-en-1-one
CID 152781628
(3aR,4S,6aS)-3-(2,6-dichlorophenyl)-4-hydroxy-4-methyl-5,6a-dihydro-3aH-cyclopenta[d][1,2]oxazol-6-one
CID 11185660
3-(2,6-Dichlorophenyl)-4-methoxy-3a,6a-dihydrocyclopenta[d][1,2]oxazol-6-one
CID 11277916
3-(2,6-Dichlorophenyl)-4-phenylmethoxy-3a,6a-dihydrocyclopenta[d][1,2]oxazol-6-one
CID 11383216

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-4-hydroxy-3a,6a-dihydrocyclopenta[d][1,2]oxazol-6-one?
The IUPAC name of 3-(2,6-dichlorophenyl)-4-hydroxy-3a,6a-dihydrocyclopenta[d][1,2]oxazol-6-one (CID 11208358) is 3-(2,6-dichlorophenyl)-4-hydroxy-3a,6a-dihydrocyclopenta[d][1,2]oxazol-6-one.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-4-hydroxy-3a,6a-dihydrocyclopenta[d][1,2]oxazol-6-one?
The canonical SMILES for 3-(2,6-dichlorophenyl)-4-hydroxy-3a,6a-dihydrocyclopenta[d][1,2]oxazol-6-one is O=C1C=C(O)C2C(c3c(Cl)cccc3Cl)=NOC12.
What is the InChIKey of 3-(2,6-dichlorophenyl)-4-hydroxy-3a,6a-dihydrocyclopenta[d][1,2]oxazol-6-one?
The InChIKey is JYFIVZMMYIVSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NO3/c13-5-2-1-3-6(14)9(5)11-10-7(16)4-8(17)12(10)18-15-11/h1-4,10,12,16H.
What are the key properties of 3-(2,6-dichlorophenyl)-4-hydroxy-3a,6a-dihydrocyclopenta[d][1,2]oxazol-6-one?
3-(2,6-dichlorophenyl)-4-hydroxy-3a,6a-dihydrocyclopenta[d][1,2]oxazol-6-one has a molecular weight of 284.10 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-4-hydroxy-3a,6a-dihydrocyclopenta[d][1,2]oxazol-6-one is sourced from PubChem (CID 11208358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).