2-(3,4-dichlorophenyl)-4,5-dihydro-1,3-oxazole

C9H7Cl2NO — CID 12793328

IUPAC2-(3,4-dichlorophenyl)-4,5-dihydro-1,3-oxazole
SMILESClc1ccc(C2=NCCO2)cc1Cl
InChIInChI=1S/C9H7Cl2NO/c10-7-2-1-6(5-8(7)11)9-12-3-4-13-9/h1-2,5H,3-4H2
InChIKeyOSKMTKHBXICKDD-UHFFFAOYSA-N
MW216.07 g/mol
LogP2.77
Rot. Bonds1

About 2-(3,4-dichlorophenyl)-4,5-dihydro-1,3-oxazole

2-(3,4-dichlorophenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 12793328) has the molecular formula C9H7Cl2NO and a molecular weight of 216.07 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-4,5-dihydro-1,3-oxazole
PubChem CID12793328
Molecular FormulaC9H7Cl2NO
Molecular Weight216.07 g/mol
Exact Mass214.99
IUPAC Name2-(3,4-dichlorophenyl)-4,5-dihydro-1,3-oxazole
SMILESClc1ccc(C2=NCCO2)cc1Cl
InChIInChI=1S/C9H7Cl2NO/c10-7-2-1-6(5-8(7)11)9-12-3-4-13-9/h1-2,5H,3-4H2
InChIKeyOSKMTKHBXICKDD-UHFFFAOYSA-N
XLogP2.77
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.07
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(3,4-dichlorophenyl)-4,5-dihydro-1,3-oxazole (CID 12793328) is 2-(3,4-dichlorophenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(3,4-dichlorophenyl)-4,5-dihydro-1,3-oxazole is Clc1ccc(C2=NCCO2)cc1Cl.
What is the InChIKey of 2-(3,4-dichlorophenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is OSKMTKHBXICKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2NO/c10-7-2-1-6(5-8(7)11)9-12-3-4-13-9/h1-2,5H,3-4H2.
What are the key properties of 2-(3,4-dichlorophenyl)-4,5-dihydro-1,3-oxazole?
2-(3,4-dichlorophenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 216.07 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 12793328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).