[3-(2,6-dichlorophenyl)-5-propan-2-yl-4,5-dihydro-1,2-oxazol-4-yl]methanol

C13H15Cl2NO2 — CID 138508082

IUPAC[3-(2,6-dichlorophenyl)-5-propan-2-yl-4,5-dihydro-1,2-oxazol-4-yl]methanol
SMILESCC(C)C1ON=C(c2c(Cl)cccc2Cl)C1CO
InChIInChI=1S/C13H15Cl2NO2/c1-7(2)13-8(6-17)12(16-18-13)11-9(14)4-3-5-10(11)15/h3-5,7-8,13,17H,6H2,1-2H3
InChIKeyDFJKFWAIPTYXHT-UHFFFAOYSA-N
MW288.17 g/mol
LogP3.36
Rot. Bonds3

About [3-(2,6-dichlorophenyl)-5-propan-2-yl-4,5-dihydro-1,2-oxazol-4-yl]methanol

[3-(2,6-dichlorophenyl)-5-propan-2-yl-4,5-dihydro-1,2-oxazol-4-yl]methanol (PubChem CID 138508082) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is [3-(2,6-dichlorophenyl)-5-propan-2-yl-4,5-dihydro-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(2,6-dichlorophenyl)-5-propan-2-yl-4,5-dihydro-1,2-oxazol-4-yl]methanol
PubChem CID138508082
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC Name[3-(2,6-dichlorophenyl)-5-propan-2-yl-4,5-dihydro-1,2-oxazol-4-yl]methanol
SMILESCC(C)C1ON=C(c2c(Cl)cccc2Cl)C1CO
InChIInChI=1S/C13H15Cl2NO2/c1-7(2)13-8(6-17)12(16-18-13)11-9(14)4-3-5-10(11)15/h3-5,7-8,13,17H,6H2,1-2H3
InChIKeyDFJKFWAIPTYXHT-UHFFFAOYSA-N
XLogP3.36
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2,6-dichlorophenyl)-5-propan-2-yl-4,5-dihydro-1,2-oxazol-4-yl]methanol?
The IUPAC name of [3-(2,6-dichlorophenyl)-5-propan-2-yl-4,5-dihydro-1,2-oxazol-4-yl]methanol (CID 138508082) is [3-(2,6-dichlorophenyl)-5-propan-2-yl-4,5-dihydro-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [3-(2,6-dichlorophenyl)-5-propan-2-yl-4,5-dihydro-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [3-(2,6-dichlorophenyl)-5-propan-2-yl-4,5-dihydro-1,2-oxazol-4-yl]methanol is CC(C)C1ON=C(c2c(Cl)cccc2Cl)C1CO.
What is the InChIKey of [3-(2,6-dichlorophenyl)-5-propan-2-yl-4,5-dihydro-1,2-oxazol-4-yl]methanol?
The InChIKey is DFJKFWAIPTYXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c1-7(2)13-8(6-17)12(16-18-13)11-9(14)4-3-5-10(11)15/h3-5,7-8,13,17H,6H2,1-2H3.
What are the key properties of [3-(2,6-dichlorophenyl)-5-propan-2-yl-4,5-dihydro-1,2-oxazol-4-yl]methanol?
[3-(2,6-dichlorophenyl)-5-propan-2-yl-4,5-dihydro-1,2-oxazol-4-yl]methanol has a molecular weight of 288.17 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-dichlorophenyl)-5-propan-2-yl-4,5-dihydro-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 138508082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).