3,5-dichloro-4-(4,5-dimethyl-1,3-oxazol-2-yl)phenol

C11H9Cl2NO2 — CID 135621457

IUPAC3,5-dichloro-4-(4,5-dimethyl-1,3-oxazol-2-yl)phenol
SMILESCc1nc(-c2c(Cl)cc(O)cc2Cl)oc1C
InChIInChI=1S/C11H9Cl2NO2/c1-5-6(2)16-11(14-5)10-8(12)3-7(15)4-9(10)13/h3-4,15H,1-2H3
InChIKeyBUUHHDXGPJCWOD-UHFFFAOYSA-N
MW258.10 g/mol
LogP3.97
Rot. Bonds1

About 3,5-dichloro-4-(4,5-dimethyl-1,3-oxazol-2-yl)phenol

3,5-dichloro-4-(4,5-dimethyl-1,3-oxazol-2-yl)phenol (PubChem CID 135621457) has the molecular formula C11H9Cl2NO2 and a molecular weight of 258.10 g/mol. Its IUPAC name is 3,5-dichloro-4-(4,5-dimethyl-1,3-oxazol-2-yl)phenol.

Molecular Properties

Compound Name3,5-dichloro-4-(4,5-dimethyl-1,3-oxazol-2-yl)phenol
PubChem CID135621457
Molecular FormulaC11H9Cl2NO2
Molecular Weight258.10 g/mol
Exact Mass257.00
IUPAC Name3,5-dichloro-4-(4,5-dimethyl-1,3-oxazol-2-yl)phenol
SMILESCc1nc(-c2c(Cl)cc(O)cc2Cl)oc1C
InChIInChI=1S/C11H9Cl2NO2/c1-5-6(2)16-11(14-5)10-8(12)3-7(15)4-9(10)13/h3-4,15H,1-2H3
InChIKeyBUUHHDXGPJCWOD-UHFFFAOYSA-N
XLogP3.97
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.10
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(4,5-dimethyl-1,3-oxazol-2-yl)phenol?
The IUPAC name of 3,5-dichloro-4-(4,5-dimethyl-1,3-oxazol-2-yl)phenol (CID 135621457) is 3,5-dichloro-4-(4,5-dimethyl-1,3-oxazol-2-yl)phenol.
What is the SMILES notation for 3,5-dichloro-4-(4,5-dimethyl-1,3-oxazol-2-yl)phenol?
The canonical SMILES for 3,5-dichloro-4-(4,5-dimethyl-1,3-oxazol-2-yl)phenol is Cc1nc(-c2c(Cl)cc(O)cc2Cl)oc1C.
What is the InChIKey of 3,5-dichloro-4-(4,5-dimethyl-1,3-oxazol-2-yl)phenol?
The InChIKey is BUUHHDXGPJCWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO2/c1-5-6(2)16-11(14-5)10-8(12)3-7(15)4-9(10)13/h3-4,15H,1-2H3.
What are the key properties of 3,5-dichloro-4-(4,5-dimethyl-1,3-oxazol-2-yl)phenol?
3,5-dichloro-4-(4,5-dimethyl-1,3-oxazol-2-yl)phenol has a molecular weight of 258.10 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(4,5-dimethyl-1,3-oxazol-2-yl)phenol is sourced from PubChem (CID 135621457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).