1-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-2-methylbutan-1-ol

C14H15Cl2NO2 — CID 20774780

IUPAC1-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-2-methylbutan-1-ol
SMILESCCC(C)C(O)c1ncc(-c2c(Cl)cccc2Cl)o1
InChIInChI=1S/C14H15Cl2NO2/c1-3-8(2)13(18)14-17-7-11(19-14)12-9(15)5-4-6-10(12)16/h4-8,13,18H,3H2,1-2H3
InChIKeyQQFGUILNCZIQFF-UHFFFAOYSA-N
MW300.19 g/mol
LogP4.73
Rot. Bonds4

About 1-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-2-methylbutan-1-ol

1-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-2-methylbutan-1-ol (PubChem CID 20774780) has the molecular formula C14H15Cl2NO2 and a molecular weight of 300.19 g/mol. Its IUPAC name is 1-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-2-methylbutan-1-ol
PubChem CID20774780
Molecular FormulaC14H15Cl2NO2
Molecular Weight300.19 g/mol
Exact Mass299.05
IUPAC Name1-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-2-methylbutan-1-ol
SMILESCCC(C)C(O)c1ncc(-c2c(Cl)cccc2Cl)o1
InChIInChI=1S/C14H15Cl2NO2/c1-3-8(2)13(18)14-17-7-11(19-14)12-9(15)5-4-6-10(12)16/h4-8,13,18H,3H2,1-2H3
InChIKeyQQFGUILNCZIQFF-UHFFFAOYSA-N
XLogP4.73
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-2-methylbutan-1-ol?
The IUPAC name of 1-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-2-methylbutan-1-ol (CID 20774780) is 1-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-2-methylbutan-1-ol.
What is the SMILES notation for 1-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-2-methylbutan-1-ol?
The canonical SMILES for 1-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-2-methylbutan-1-ol is CCC(C)C(O)c1ncc(-c2c(Cl)cccc2Cl)o1.
What is the InChIKey of 1-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-2-methylbutan-1-ol?
The InChIKey is QQFGUILNCZIQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO2/c1-3-8(2)13(18)14-17-7-11(19-14)12-9(15)5-4-6-10(12)16/h4-8,13,18H,3H2,1-2H3.
What are the key properties of 1-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-2-methylbutan-1-ol?
1-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-2-methylbutan-1-ol has a molecular weight of 300.19 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,6-dichlorophenyl)-1,3-oxazol-2-yl]-2-methylbutan-1-ol is sourced from PubChem (CID 20774780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).