3-(2,6-dichlorophenyl)-4-methyl-5-pentan-2-yloxy-4,5-dihydro-1,2-oxazole

C15H19Cl2NO2 — CID 102453475

IUPAC3-(2,6-dichlorophenyl)-4-methyl-5-pentan-2-yloxy-4,5-dihydro-1,2-oxazole
SMILESCCCC(C)OC1ON=C(c2c(Cl)cccc2Cl)C1C
InChIInChI=1S/C15H19Cl2NO2/c1-4-6-9(2)19-15-10(3)14(18-20-15)13-11(16)7-5-8-12(13)17/h5,7-10,15H,4,6H2,1-3H3
InChIKeyPBWUWDQXIOWVHD-UHFFFAOYSA-N
MW316.23 g/mol
LogP4.90
Rot. Bonds5

About 3-(2,6-dichlorophenyl)-4-methyl-5-pentan-2-yloxy-4,5-dihydro-1,2-oxazole

3-(2,6-dichlorophenyl)-4-methyl-5-pentan-2-yloxy-4,5-dihydro-1,2-oxazole (PubChem CID 102453475) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-4-methyl-5-pentan-2-yloxy-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-4-methyl-5-pentan-2-yloxy-4,5-dihydro-1,2-oxazole
PubChem CID102453475
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name3-(2,6-dichlorophenyl)-4-methyl-5-pentan-2-yloxy-4,5-dihydro-1,2-oxazole
SMILESCCCC(C)OC1ON=C(c2c(Cl)cccc2Cl)C1C
InChIInChI=1S/C15H19Cl2NO2/c1-4-6-9(2)19-15-10(3)14(18-20-15)13-11(16)7-5-8-12(13)17/h5,7-10,15H,4,6H2,1-3H3
InChIKeyPBWUWDQXIOWVHD-UHFFFAOYSA-N
XLogP4.90
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-4-methyl-5-pentan-2-yloxy-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(2,6-dichlorophenyl)-4-methyl-5-pentan-2-yloxy-4,5-dihydro-1,2-oxazole (CID 102453475) is 3-(2,6-dichlorophenyl)-4-methyl-5-pentan-2-yloxy-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-4-methyl-5-pentan-2-yloxy-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(2,6-dichlorophenyl)-4-methyl-5-pentan-2-yloxy-4,5-dihydro-1,2-oxazole is CCCC(C)OC1ON=C(c2c(Cl)cccc2Cl)C1C.
What is the InChIKey of 3-(2,6-dichlorophenyl)-4-methyl-5-pentan-2-yloxy-4,5-dihydro-1,2-oxazole?
The InChIKey is PBWUWDQXIOWVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c1-4-6-9(2)19-15-10(3)14(18-20-15)13-11(16)7-5-8-12(13)17/h5,7-10,15H,4,6H2,1-3H3.
What are the key properties of 3-(2,6-dichlorophenyl)-4-methyl-5-pentan-2-yloxy-4,5-dihydro-1,2-oxazole?
3-(2,6-dichlorophenyl)-4-methyl-5-pentan-2-yloxy-4,5-dihydro-1,2-oxazole has a molecular weight of 316.23 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-4-methyl-5-pentan-2-yloxy-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 102453475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).