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

C9H7Cl2NO — CID 69225817

IUPAC3-(3,5-dichlorophenyl)-4,5-dihydro-1,2-oxazole
SMILESClc1cc(Cl)cc(C2=NOCC2)c1
InChIInChI=1S/C9H7Cl2NO/c10-7-3-6(4-8(11)5-7)9-1-2-13-12-9/h3-5H,1-2H2
InChIKeyWEPKQEBGWSWXGF-UHFFFAOYSA-N
MW216.07 g/mol
LogP3.12
Rot. Bonds1

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

3-(3,5-dichlorophenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 69225817) has the molecular formula C9H7Cl2NO and a molecular weight of 216.07 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-4,5-dihydro-1,2-oxazole
PubChem CID69225817
Molecular FormulaC9H7Cl2NO
Molecular Weight216.07 g/mol
Exact Mass214.99
IUPAC Name3-(3,5-dichlorophenyl)-4,5-dihydro-1,2-oxazole
SMILESClc1cc(Cl)cc(C2=NOCC2)c1
InChIInChI=1S/C9H7Cl2NO/c10-7-3-6(4-8(11)5-7)9-1-2-13-12-9/h3-5H,1-2H2
InChIKeyWEPKQEBGWSWXGF-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(3,5-dichlorophenyl)-4,5-dihydro-1,2-oxazole (CID 69225817) is 3-(3,5-dichlorophenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(3,5-dichlorophenyl)-4,5-dihydro-1,2-oxazole is Clc1cc(Cl)cc(C2=NOCC2)c1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is WEPKQEBGWSWXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2NO/c10-7-3-6(4-8(11)5-7)9-1-2-13-12-9/h3-5H,1-2H2.
What are the key properties of 3-(3,5-dichlorophenyl)-4,5-dihydro-1,2-oxazole?
3-(3,5-dichlorophenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 216.07 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 69225817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).