3-[4-[(2-phenylpyrazol-3-yl)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

C20H16F3N3O2 — CID 155413393

IUPAC3-[4-[(2-phenylpyrazol-3-yl)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)CC(c2ccc(Cc3ccnn3-c3ccccc3)cc2)=NO1
InChIInChI=1S/C20H16F3N3O2/c21-20(22,23)19(27)13-18(25-28-19)15-8-6-14(7-9-15)12-17-10-11-24-26(17)16-4-2-1-3-5-16/h1-11,27H,12-13H2
InChIKeyUAGSXGAJSCOUJZ-UHFFFAOYSA-N
MW387.36 g/mol
LogP3.84
Rot. Bonds4

About 3-[4-[(2-phenylpyrazol-3-yl)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

3-[4-[(2-phenylpyrazol-3-yl)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (PubChem CID 155413393) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is 3-[4-[(2-phenylpyrazol-3-yl)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-[4-[(2-phenylpyrazol-3-yl)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
PubChem CID155413393
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC Name3-[4-[(2-phenylpyrazol-3-yl)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)CC(c2ccc(Cc3ccnn3-c3ccccc3)cc2)=NO1
InChIInChI=1S/C20H16F3N3O2/c21-20(22,23)19(27)13-18(25-28-19)15-8-6-14(7-9-15)12-17-10-11-24-26(17)16-4-2-1-3-5-16/h1-11,27H,12-13H2
InChIKeyUAGSXGAJSCOUJZ-UHFFFAOYSA-N
XLogP3.84
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-phenylpyrazol-3-yl)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The IUPAC name of 3-[4-[(2-phenylpyrazol-3-yl)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (CID 155413393) is 3-[4-[(2-phenylpyrazol-3-yl)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-[4-[(2-phenylpyrazol-3-yl)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The canonical SMILES for 3-[4-[(2-phenylpyrazol-3-yl)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is OC1(C(F)(F)F)CC(c2ccc(Cc3ccnn3-c3ccccc3)cc2)=NO1.
What is the InChIKey of 3-[4-[(2-phenylpyrazol-3-yl)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The InChIKey is UAGSXGAJSCOUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c21-20(22,23)19(27)13-18(25-28-19)15-8-6-14(7-9-15)12-17-10-11-24-26(17)16-4-2-1-3-5-16/h1-11,27H,12-13H2.
What are the key properties of 3-[4-[(2-phenylpyrazol-3-yl)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
3-[4-[(2-phenylpyrazol-3-yl)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol has a molecular weight of 387.36 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-phenylpyrazol-3-yl)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 155413393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).