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

C15H17Cl2NO3 — CID 102453485

IUPAC3-(2,6-dichlorophenyl)-4-methyl-5-(oxan-2-yloxy)-4,5-dihydro-1,2-oxazole
SMILESCC1C(c2c(Cl)cccc2Cl)=NOC1OC1CCCCO1
InChIInChI=1S/C15H17Cl2NO3/c1-9-14(13-10(16)5-4-6-11(13)17)18-21-15(9)20-12-7-2-3-8-19-12/h4-6,9,12,15H,2-3,7-8H2,1H3
InChIKeyHFIYRPWJGNELMM-UHFFFAOYSA-N
MW330.21 g/mol
LogP4.23
Rot. Bonds3

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

3-(2,6-dichlorophenyl)-4-methyl-5-(oxan-2-yloxy)-4,5-dihydro-1,2-oxazole (PubChem CID 102453485) has the molecular formula C15H17Cl2NO3 and a molecular weight of 330.21 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-4-methyl-5-(oxan-2-yloxy)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-4-methyl-5-(oxan-2-yloxy)-4,5-dihydro-1,2-oxazole
PubChem CID102453485
Molecular FormulaC15H17Cl2NO3
Molecular Weight330.21 g/mol
Exact Mass329.06
IUPAC Name3-(2,6-dichlorophenyl)-4-methyl-5-(oxan-2-yloxy)-4,5-dihydro-1,2-oxazole
SMILESCC1C(c2c(Cl)cccc2Cl)=NOC1OC1CCCCO1
InChIInChI=1S/C15H17Cl2NO3/c1-9-14(13-10(16)5-4-6-11(13)17)18-21-15(9)20-12-7-2-3-8-19-12/h4-6,9,12,15H,2-3,7-8H2,1H3
InChIKeyHFIYRPWJGNELMM-UHFFFAOYSA-N
XLogP4.23
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-4-methyl-5-(oxan-2-yloxy)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(2,6-dichlorophenyl)-4-methyl-5-(oxan-2-yloxy)-4,5-dihydro-1,2-oxazole (CID 102453485) is 3-(2,6-dichlorophenyl)-4-methyl-5-(oxan-2-yloxy)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-4-methyl-5-(oxan-2-yloxy)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(2,6-dichlorophenyl)-4-methyl-5-(oxan-2-yloxy)-4,5-dihydro-1,2-oxazole is CC1C(c2c(Cl)cccc2Cl)=NOC1OC1CCCCO1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-4-methyl-5-(oxan-2-yloxy)-4,5-dihydro-1,2-oxazole?
The InChIKey is HFIYRPWJGNELMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO3/c1-9-14(13-10(16)5-4-6-11(13)17)18-21-15(9)20-12-7-2-3-8-19-12/h4-6,9,12,15H,2-3,7-8H2,1H3.
What are the key properties of 3-(2,6-dichlorophenyl)-4-methyl-5-(oxan-2-yloxy)-4,5-dihydro-1,2-oxazole?
3-(2,6-dichlorophenyl)-4-methyl-5-(oxan-2-yloxy)-4,5-dihydro-1,2-oxazole has a molecular weight of 330.21 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-4-methyl-5-(oxan-2-yloxy)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 102453485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).