3-(2,6-dichlorophenyl)-2,5-dihydro-1,2-oxazole

C9H7Cl2NO — CID 57245306

IUPAC3-(2,6-dichlorophenyl)-2,5-dihydro-1,2-oxazole
SMILESClc1cccc(Cl)c1C1=CCON1
InChIInChI=1S/C9H7Cl2NO/c10-6-2-1-3-7(11)9(6)8-4-5-13-12-8/h1-4,12H,5H2
InChIKeyKYAPUXFBPVDQNK-UHFFFAOYSA-N
MW216.07 g/mol
LogP2.87
Rot. Bonds1

About 3-(2,6-dichlorophenyl)-2,5-dihydro-1,2-oxazole

3-(2,6-dichlorophenyl)-2,5-dihydro-1,2-oxazole (PubChem CID 57245306) has the molecular formula C9H7Cl2NO and a molecular weight of 216.07 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-2,5-dihydro-1,2-oxazole
PubChem CID57245306
Molecular FormulaC9H7Cl2NO
Molecular Weight216.07 g/mol
Exact Mass214.99
IUPAC Name3-(2,6-dichlorophenyl)-2,5-dihydro-1,2-oxazole
SMILESClc1cccc(Cl)c1C1=CCON1
InChIInChI=1S/C9H7Cl2NO/c10-6-2-1-3-7(11)9(6)8-4-5-13-12-8/h1-4,12H,5H2
InChIKeyKYAPUXFBPVDQNK-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.07
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-2,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(2,6-dichlorophenyl)-2,5-dihydro-1,2-oxazole (CID 57245306) is 3-(2,6-dichlorophenyl)-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(2,6-dichlorophenyl)-2,5-dihydro-1,2-oxazole is Clc1cccc(Cl)c1C1=CCON1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-2,5-dihydro-1,2-oxazole?
The InChIKey is KYAPUXFBPVDQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2NO/c10-6-2-1-3-7(11)9(6)8-4-5-13-12-8/h1-4,12H,5H2.
What are the key properties of 3-(2,6-dichlorophenyl)-2,5-dihydro-1,2-oxazole?
3-(2,6-dichlorophenyl)-2,5-dihydro-1,2-oxazole has a molecular weight of 216.07 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 57245306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).