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

C11H8ClF2NO3 — CID 175913663

IUPAC3-[4-(chloromethyl)-1,3-oxazol-2-yl]-2-(difluoromethoxy)phenol
SMILESOc1cccc(-c2nc(CCl)co2)c1OC(F)F
InChIInChI=1S/C11H8ClF2NO3/c12-4-6-5-17-10(15-6)7-2-1-3-8(16)9(7)18-11(13)14/h1-3,5,11,16H,4H2
InChIKeyRZSKVHFHSNDPTI-UHFFFAOYSA-N
MW275.64 g/mol
LogP3.39
Rot. Bonds4

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

3-[4-(chloromethyl)-1,3-oxazol-2-yl]-2-(difluoromethoxy)phenol (PubChem CID 175913663) has the molecular formula C11H8ClF2NO3 and a molecular weight of 275.64 g/mol. Its IUPAC name is 3-[4-(chloromethyl)-1,3-oxazol-2-yl]-2-(difluoromethoxy)phenol.

Molecular Properties

Compound Name3-[4-(chloromethyl)-1,3-oxazol-2-yl]-2-(difluoromethoxy)phenol
PubChem CID175913663
Molecular FormulaC11H8ClF2NO3
Molecular Weight275.64 g/mol
Exact Mass275.02
IUPAC Name3-[4-(chloromethyl)-1,3-oxazol-2-yl]-2-(difluoromethoxy)phenol
SMILESOc1cccc(-c2nc(CCl)co2)c1OC(F)F
InChIInChI=1S/C11H8ClF2NO3/c12-4-6-5-17-10(15-6)7-2-1-3-8(16)9(7)18-11(13)14/h1-3,5,11,16H,4H2
InChIKeyRZSKVHFHSNDPTI-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 3-[4-(chloromethyl)-1,3-oxazol-2-yl]-2-(difluoromethoxy)phenol?
The IUPAC name of 3-[4-(chloromethyl)-1,3-oxazol-2-yl]-2-(difluoromethoxy)phenol (CID 175913663) is 3-[4-(chloromethyl)-1,3-oxazol-2-yl]-2-(difluoromethoxy)phenol.
What is the SMILES notation for 3-[4-(chloromethyl)-1,3-oxazol-2-yl]-2-(difluoromethoxy)phenol?
The canonical SMILES for 3-[4-(chloromethyl)-1,3-oxazol-2-yl]-2-(difluoromethoxy)phenol is Oc1cccc(-c2nc(CCl)co2)c1OC(F)F.
What is the InChIKey of 3-[4-(chloromethyl)-1,3-oxazol-2-yl]-2-(difluoromethoxy)phenol?
The InChIKey is RZSKVHFHSNDPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF2NO3/c12-4-6-5-17-10(15-6)7-2-1-3-8(16)9(7)18-11(13)14/h1-3,5,11,16H,4H2.
What are the key properties of 3-[4-(chloromethyl)-1,3-oxazol-2-yl]-2-(difluoromethoxy)phenol?
3-[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 3-[4-(chloromethyl)-1,3-oxazol-2-yl]-2-(difluoromethoxy)phenol is sourced from PubChem (CID 175913663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).