3-(2,5-dichlorophenyl)-5-methyl-1,2-oxazole

C10H7Cl2NO — CID 44523018

IUPAC3-(2,5-dichlorophenyl)-5-methyl-1,2-oxazole
SMILESCc1cc(-c2cc(Cl)ccc2Cl)no1
InChIInChI=1S/C10H7Cl2NO/c1-6-4-10(13-14-6)8-5-7(11)2-3-9(8)12/h2-5H,1H3
InChIKeyPKACNQGKLILEMW-UHFFFAOYSA-N
MW228.08 g/mol
LogP3.96
Rot. Bonds1

About 3-(2,5-dichlorophenyl)-5-methyl-1,2-oxazole

3-(2,5-dichlorophenyl)-5-methyl-1,2-oxazole (PubChem CID 44523018) has the molecular formula C10H7Cl2NO and a molecular weight of 228.08 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)-5-methyl-1,2-oxazole
PubChem CID44523018
Molecular FormulaC10H7Cl2NO
Molecular Weight228.08 g/mol
Exact Mass226.99
IUPAC Name3-(2,5-dichlorophenyl)-5-methyl-1,2-oxazole
SMILESCc1cc(-c2cc(Cl)ccc2Cl)no1
InChIInChI=1S/C10H7Cl2NO/c1-6-4-10(13-14-6)8-5-7(11)2-3-9(8)12/h2-5H,1H3
InChIKeyPKACNQGKLILEMW-UHFFFAOYSA-N
XLogP3.96
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)-5-methyl-1,2-oxazole?
The IUPAC name of 3-(2,5-dichlorophenyl)-5-methyl-1,2-oxazole (CID 44523018) is 3-(2,5-dichlorophenyl)-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-(2,5-dichlorophenyl)-5-methyl-1,2-oxazole?
The canonical SMILES for 3-(2,5-dichlorophenyl)-5-methyl-1,2-oxazole is Cc1cc(-c2cc(Cl)ccc2Cl)no1.
What is the InChIKey of 3-(2,5-dichlorophenyl)-5-methyl-1,2-oxazole?
The InChIKey is PKACNQGKLILEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO/c1-6-4-10(13-14-6)8-5-7(11)2-3-9(8)12/h2-5H,1H3.
What are the key properties of 3-(2,5-dichlorophenyl)-5-methyl-1,2-oxazole?
3-(2,5-dichlorophenyl)-5-methyl-1,2-oxazole has a molecular weight of 228.08 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)-5-methyl-1,2-oxazole is sourced from PubChem (CID 44523018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).