3-[4-[2-(difluoromethyl)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

C16H11F5N2O2 — CID 155414238

IUPAC3-[4-[2-(difluoromethyl)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)CC(c2ccc(-c3cccnc3C(F)F)cc2)=NO1
InChIInChI=1S/C16H11F5N2O2/c17-14(18)13-11(2-1-7-22-13)9-3-5-10(6-4-9)12-8-15(24,25-23-12)16(19,20)21/h1-7,14,24H,8H2
InChIKeyQDNNICJKYJPJBD-UHFFFAOYSA-N
MW358.27 g/mol
LogP4.06
Rot. Bonds3

About 3-[4-[2-(difluoromethyl)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

3-[4-[2-(difluoromethyl)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (PubChem CID 155414238) has the molecular formula C16H11F5N2O2 and a molecular weight of 358.27 g/mol. Its IUPAC name is 3-[4-[2-(difluoromethyl)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-[4-[2-(difluoromethyl)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
PubChem CID155414238
Molecular FormulaC16H11F5N2O2
Molecular Weight358.27 g/mol
Exact Mass358.07
IUPAC Name3-[4-[2-(difluoromethyl)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)CC(c2ccc(-c3cccnc3C(F)F)cc2)=NO1
InChIInChI=1S/C16H11F5N2O2/c17-14(18)13-11(2-1-7-22-13)9-3-5-10(6-4-9)12-8-15(24,25-23-12)16(19,20)21/h1-7,14,24H,8H2
InChIKeyQDNNICJKYJPJBD-UHFFFAOYSA-N
XLogP4.06
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(difluoromethyl)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The IUPAC name of 3-[4-[2-(difluoromethyl)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (CID 155414238) is 3-[4-[2-(difluoromethyl)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-[4-[2-(difluoromethyl)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The canonical SMILES for 3-[4-[2-(difluoromethyl)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is OC1(C(F)(F)F)CC(c2ccc(-c3cccnc3C(F)F)cc2)=NO1.
What is the InChIKey of 3-[4-[2-(difluoromethyl)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The InChIKey is QDNNICJKYJPJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F5N2O2/c17-14(18)13-11(2-1-7-22-13)9-3-5-10(6-4-9)12-8-15(24,25-23-12)16(19,20)21/h1-7,14,24H,8H2.
What are the key properties of 3-[4-[2-(difluoromethyl)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
3-[4-[2-(difluoromethyl)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol has a molecular weight of 358.27 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(difluoromethyl)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 155414238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).