5-[4-(chloromethyl)-1,3-oxazol-2-yl]-2-(difluoromethoxy)phenol

C11H8ClF2NO3 — CID 175553150

IUPAC5-[4-(chloromethyl)-1,3-oxazol-2-yl]-2-(difluoromethoxy)phenol
SMILESOc1cc(-c2nc(CCl)co2)ccc1OC(F)F
InChIInChI=1S/C11H8ClF2NO3/c12-4-7-5-17-10(15-7)6-1-2-9(8(16)3-6)18-11(13)14/h1-3,5,11,16H,4H2
InChIKeyOPBBXOVNCHGIFI-UHFFFAOYSA-N
MW275.64 g/mol
LogP3.39
Rot. Bonds4

About 5-[4-(chloromethyl)-1,3-oxazol-2-yl]-2-(difluoromethoxy)phenol

5-[4-(chloromethyl)-1,3-oxazol-2-yl]-2-(difluoromethoxy)phenol (PubChem CID 175553150) has the molecular formula C11H8ClF2NO3 and a molecular weight of 275.64 g/mol. Its IUPAC name is 5-[4-(chloromethyl)-1,3-oxazol-2-yl]-2-(difluoromethoxy)phenol.

Molecular Properties

Compound Name5-[4-(chloromethyl)-1,3-oxazol-2-yl]-2-(difluoromethoxy)phenol
PubChem CID175553150
Molecular FormulaC11H8ClF2NO3
Molecular Weight275.64 g/mol
Exact Mass275.02
IUPAC Name5-[4-(chloromethyl)-1,3-oxazol-2-yl]-2-(difluoromethoxy)phenol
SMILESOc1cc(-c2nc(CCl)co2)ccc1OC(F)F
InChIInChI=1S/C11H8ClF2NO3/c12-4-7-5-17-10(15-7)6-1-2-9(8(16)3-6)18-11(13)14/h1-3,5,11,16H,4H2
InChIKeyOPBBXOVNCHGIFI-UHFFFAOYSA-N
XLogP3.39
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.64
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(chloromethyl)-1,3-oxazol-2-yl]-2-(difluoromethoxy)phenol?
The IUPAC name of 5-[4-(chloromethyl)-1,3-oxazol-2-yl]-2-(difluoromethoxy)phenol (CID 175553150) is 5-[4-(chloromethyl)-1,3-oxazol-2-yl]-2-(difluoromethoxy)phenol.
What is the SMILES notation for 5-[4-(chloromethyl)-1,3-oxazol-2-yl]-2-(difluoromethoxy)phenol?
The canonical SMILES for 5-[4-(chloromethyl)-1,3-oxazol-2-yl]-2-(difluoromethoxy)phenol is Oc1cc(-c2nc(CCl)co2)ccc1OC(F)F.
What is the InChIKey of 5-[4-(chloromethyl)-1,3-oxazol-2-yl]-2-(difluoromethoxy)phenol?
The InChIKey is OPBBXOVNCHGIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF2NO3/c12-4-7-5-17-10(15-7)6-1-2-9(8(16)3-6)18-11(13)14/h1-3,5,11,16H,4H2.
What are the key properties of 5-[4-(chloromethyl)-1,3-oxazol-2-yl]-2-(difluoromethoxy)phenol?
5-[4-(chloromethyl)-1,3-oxazol-2-yl]-2-(difluoromethoxy)phenol has a molecular weight of 275.64 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(chloromethyl)-1,3-oxazol-2-yl]-2-(difluoromethoxy)phenol is sourced from PubChem (CID 175553150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).