5-(difluoromethyl)-3-(2-hydroxyphenyl)-4H-1,2-oxazol-5-ol

C10H9F2NO3 — CID 2848977

IUPAC5-(difluoromethyl)-3-(2-hydroxyphenyl)-4H-1,2-oxazol-5-ol
SMILESOc1ccccc1C1=NOC(O)(C(F)F)C1
InChIInChI=1S/C10H9F2NO3/c11-9(12)10(15)5-7(13-16-10)6-3-1-2-4-8(6)14/h1-4,9,14-15H,5H2
InChIKeyZZOQCZPOSYUYQZ-UHFFFAOYSA-N
MW229.18 g/mol
LogP1.47
Rot. Bonds2

About 5-(difluoromethyl)-3-(2-hydroxyphenyl)-4H-1,2-oxazol-5-ol

5-(difluoromethyl)-3-(2-hydroxyphenyl)-4H-1,2-oxazol-5-ol (PubChem CID 2848977) has the molecular formula C10H9F2NO3 and a molecular weight of 229.18 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-(2-hydroxyphenyl)-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name5-(difluoromethyl)-3-(2-hydroxyphenyl)-4H-1,2-oxazol-5-ol
PubChem CID2848977
Molecular FormulaC10H9F2NO3
Molecular Weight229.18 g/mol
Exact Mass229.06
IUPAC Name5-(difluoromethyl)-3-(2-hydroxyphenyl)-4H-1,2-oxazol-5-ol
SMILESOc1ccccc1C1=NOC(O)(C(F)F)C1
InChIInChI=1S/C10H9F2NO3/c11-9(12)10(15)5-7(13-16-10)6-3-1-2-4-8(6)14/h1-4,9,14-15H,5H2
InChIKeyZZOQCZPOSYUYQZ-UHFFFAOYSA-N
XLogP1.47
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.18
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-(2-hydroxyphenyl)-4H-1,2-oxazol-5-ol?
The IUPAC name of 5-(difluoromethyl)-3-(2-hydroxyphenyl)-4H-1,2-oxazol-5-ol (CID 2848977) is 5-(difluoromethyl)-3-(2-hydroxyphenyl)-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 5-(difluoromethyl)-3-(2-hydroxyphenyl)-4H-1,2-oxazol-5-ol?
The canonical SMILES for 5-(difluoromethyl)-3-(2-hydroxyphenyl)-4H-1,2-oxazol-5-ol is Oc1ccccc1C1=NOC(O)(C(F)F)C1.
What is the InChIKey of 5-(difluoromethyl)-3-(2-hydroxyphenyl)-4H-1,2-oxazol-5-ol?
The InChIKey is ZZOQCZPOSYUYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO3/c11-9(12)10(15)5-7(13-16-10)6-3-1-2-4-8(6)14/h1-4,9,14-15H,5H2.
What are the key properties of 5-(difluoromethyl)-3-(2-hydroxyphenyl)-4H-1,2-oxazol-5-ol?
5-(difluoromethyl)-3-(2-hydroxyphenyl)-4H-1,2-oxazol-5-ol has a molecular weight of 229.18 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-(2-hydroxyphenyl)-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 2848977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).