5-[5-(difluoromethoxy)-3-pyridinyl]-2-(oxan-4-yl)-1,3-oxazole

C14H14F2N2O3 — CID 136570467

IUPAC5-[5-(difluoromethoxy)-3-pyridinyl]-2-(oxan-4-yl)-1,3-oxazole
SMILESFC(F)Oc1cncc(-c2cnc(C3CCOCC3)o2)c1
InChIInChI=1S/C14H14F2N2O3/c15-14(16)20-11-5-10(6-17-7-11)12-8-18-13(21-12)9-1-3-19-4-2-9/h5-9,14H,1-4H2
InChIKeyPULCMJCJZNMVFK-UHFFFAOYSA-N
MW296.27 g/mol
LogP3.23
Rot. Bonds4

About 5-[5-(difluoromethoxy)-3-pyridinyl]-2-(oxan-4-yl)-1,3-oxazole

5-[5-(difluoromethoxy)-3-pyridinyl]-2-(oxan-4-yl)-1,3-oxazole (PubChem CID 136570467) has the molecular formula C14H14F2N2O3 and a molecular weight of 296.27 g/mol. Its IUPAC name is 5-[5-(difluoromethoxy)-3-pyridinyl]-2-(oxan-4-yl)-1,3-oxazole.

Molecular Properties

Compound Name5-[5-(difluoromethoxy)-3-pyridinyl]-2-(oxan-4-yl)-1,3-oxazole
PubChem CID136570467
Molecular FormulaC14H14F2N2O3
Molecular Weight296.27 g/mol
Exact Mass296.10
IUPAC Name5-[5-(difluoromethoxy)-3-pyridinyl]-2-(oxan-4-yl)-1,3-oxazole
SMILESFC(F)Oc1cncc(-c2cnc(C3CCOCC3)o2)c1
InChIInChI=1S/C14H14F2N2O3/c15-14(16)20-11-5-10(6-17-7-11)12-8-18-13(21-12)9-1-3-19-4-2-9/h5-9,14H,1-4H2
InChIKeyPULCMJCJZNMVFK-UHFFFAOYSA-N
XLogP3.23
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(difluoromethoxy)-3-pyridinyl]-2-(oxan-4-yl)-1,3-oxazole?
The IUPAC name of 5-[5-(difluoromethoxy)-3-pyridinyl]-2-(oxan-4-yl)-1,3-oxazole (CID 136570467) is 5-[5-(difluoromethoxy)-3-pyridinyl]-2-(oxan-4-yl)-1,3-oxazole.
What is the SMILES notation for 5-[5-(difluoromethoxy)-3-pyridinyl]-2-(oxan-4-yl)-1,3-oxazole?
The canonical SMILES for 5-[5-(difluoromethoxy)-3-pyridinyl]-2-(oxan-4-yl)-1,3-oxazole is FC(F)Oc1cncc(-c2cnc(C3CCOCC3)o2)c1.
What is the InChIKey of 5-[5-(difluoromethoxy)-3-pyridinyl]-2-(oxan-4-yl)-1,3-oxazole?
The InChIKey is PULCMJCJZNMVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O3/c15-14(16)20-11-5-10(6-17-7-11)12-8-18-13(21-12)9-1-3-19-4-2-9/h5-9,14H,1-4H2.
What are the key properties of 5-[5-(difluoromethoxy)-3-pyridinyl]-2-(oxan-4-yl)-1,3-oxazole?
5-[5-(difluoromethoxy)-3-pyridinyl]-2-(oxan-4-yl)-1,3-oxazole has a molecular weight of 296.27 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(difluoromethoxy)-3-pyridinyl]-2-(oxan-4-yl)-1,3-oxazole is sourced from PubChem (CID 136570467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).