3,4-dichloro-5-phenyl-1,2-oxazole

C9H5Cl2NO — CID 19038097

IUPAC3,4-dichloro-5-phenyl-1,2-oxazole
SMILESClc1noc(-c2ccccc2)c1Cl
InChIInChI=1S/C9H5Cl2NO/c10-7-8(13-12-9(7)11)6-4-2-1-3-5-6/h1-5H
InChIKeyHGMZDADYWFFVOX-UHFFFAOYSA-N
MW214.05 g/mol
LogP3.65
Rot. Bonds1

About 3,4-dichloro-5-phenyl-1,2-oxazole

3,4-dichloro-5-phenyl-1,2-oxazole (PubChem CID 19038097) has the molecular formula C9H5Cl2NO and a molecular weight of 214.05 g/mol. Its IUPAC name is 3,4-dichloro-5-phenyl-1,2-oxazole.

Molecular Properties

Compound Name3,4-dichloro-5-phenyl-1,2-oxazole
PubChem CID19038097
Molecular FormulaC9H5Cl2NO
Molecular Weight214.05 g/mol
Exact Mass212.97
IUPAC Name3,4-dichloro-5-phenyl-1,2-oxazole
SMILESClc1noc(-c2ccccc2)c1Cl
InChIInChI=1S/C9H5Cl2NO/c10-7-8(13-12-9(7)11)6-4-2-1-3-5-6/h1-5H
InChIKeyHGMZDADYWFFVOX-UHFFFAOYSA-N
XLogP3.65
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.05
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-5-phenyl-1,2-oxazole?
The IUPAC name of 3,4-dichloro-5-phenyl-1,2-oxazole (CID 19038097) is 3,4-dichloro-5-phenyl-1,2-oxazole.
What is the SMILES notation for 3,4-dichloro-5-phenyl-1,2-oxazole?
The canonical SMILES for 3,4-dichloro-5-phenyl-1,2-oxazole is Clc1noc(-c2ccccc2)c1Cl.
What is the InChIKey of 3,4-dichloro-5-phenyl-1,2-oxazole?
The InChIKey is HGMZDADYWFFVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2NO/c10-7-8(13-12-9(7)11)6-4-2-1-3-5-6/h1-5H.
What are the key properties of 3,4-dichloro-5-phenyl-1,2-oxazole?
3,4-dichloro-5-phenyl-1,2-oxazole has a molecular weight of 214.05 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-5-phenyl-1,2-oxazole is sourced from PubChem (CID 19038097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).