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

C9H5Cl2NO — CID 76539815

IUPAC4-(2,4-dichlorophenyl)-1,3-oxazole
SMILESClc1ccc(-c2cocn2)c(Cl)c1
InChIInChI=1S/C9H5Cl2NO/c10-6-1-2-7(8(11)3-6)9-4-13-5-12-9/h1-5H
InChIKeyFKKVNVZQYNOWSW-UHFFFAOYSA-N
MW214.05 g/mol
LogP3.65
Rot. Bonds1

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

4-(2,4-dichlorophenyl)-1,3-oxazole (PubChem CID 76539815) has the molecular formula C9H5Cl2NO and a molecular weight of 214.05 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-1,3-oxazole
PubChem CID76539815
Molecular FormulaC9H5Cl2NO
Molecular Weight214.05 g/mol
Exact Mass212.97
IUPAC Name4-(2,4-dichlorophenyl)-1,3-oxazole
SMILESClc1ccc(-c2cocn2)c(Cl)c1
InChIInChI=1S/C9H5Cl2NO/c10-6-1-2-7(8(11)3-6)9-4-13-5-12-9/h1-5H
InChIKeyFKKVNVZQYNOWSW-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 4-(2,4-dichlorophenyl)-1,3-oxazole?
The IUPAC name of 4-(2,4-dichlorophenyl)-1,3-oxazole (CID 76539815) is 4-(2,4-dichlorophenyl)-1,3-oxazole.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-1,3-oxazole?
The canonical SMILES for 4-(2,4-dichlorophenyl)-1,3-oxazole is Clc1ccc(-c2cocn2)c(Cl)c1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-1,3-oxazole?
The InChIKey is FKKVNVZQYNOWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2NO/c10-6-1-2-7(8(11)3-6)9-4-13-5-12-9/h1-5H.
What are the key properties of 4-(2,4-dichlorophenyl)-1,3-oxazole?
4-(2,4-dichlorophenyl)-1,3-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 4-(2,4-dichlorophenyl)-1,3-oxazole is sourced from PubChem (CID 76539815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).