5,5,7,7-tetrafluoro-2-(3-propan-2-yloxy-4-pyridinyl)furo[3,4-f][1,3]benzoxazole

C17H12F4N2O3 — CID 58148088

IUPAC5,5,7,7-tetrafluoro-2-(3-propan-2-yloxy-4-pyridinyl)furo[3,4-f][1,3]benzoxazole
SMILESCC(C)Oc1cnccc1-c1nc2cc3c(cc2o1)C(F)(F)OC3(F)F
InChIInChI=1S/C17H12F4N2O3/c1-8(2)24-14-7-22-4-3-9(14)15-23-12-5-10-11(6-13(12)25-15)17(20,21)26-16(10,18)19/h3-8H,1-2H3
InChIKeyKLCZUNZRSBZYMJ-UHFFFAOYSA-N
MW368.29 g/mol
LogP4.81
Rot. Bonds3

About 5,5,7,7-tetrafluoro-2-(3-propan-2-yloxy-4-pyridinyl)furo[3,4-f][1,3]benzoxazole

5,5,7,7-tetrafluoro-2-(3-propan-2-yloxy-4-pyridinyl)furo[3,4-f][1,3]benzoxazole (PubChem CID 58148088) has the molecular formula C17H12F4N2O3 and a molecular weight of 368.29 g/mol. Its IUPAC name is 5,5,7,7-tetrafluoro-2-(3-propan-2-yloxy-4-pyridinyl)furo[3,4-f][1,3]benzoxazole.

Molecular Properties

Compound Name5,5,7,7-tetrafluoro-2-(3-propan-2-yloxy-4-pyridinyl)furo[3,4-f][1,3]benzoxazole
PubChem CID58148088
Molecular FormulaC17H12F4N2O3
Molecular Weight368.29 g/mol
Exact Mass368.08
IUPAC Name5,5,7,7-tetrafluoro-2-(3-propan-2-yloxy-4-pyridinyl)furo[3,4-f][1,3]benzoxazole
SMILESCC(C)Oc1cnccc1-c1nc2cc3c(cc2o1)C(F)(F)OC3(F)F
InChIInChI=1S/C17H12F4N2O3/c1-8(2)24-14-7-22-4-3-9(14)15-23-12-5-10-11(6-13(12)25-15)17(20,21)26-16(10,18)19/h3-8H,1-2H3
InChIKeyKLCZUNZRSBZYMJ-UHFFFAOYSA-N
XLogP4.81
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.29
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,5,7,7-tetrafluoro-2-(3-propan-2-yloxy-4-pyridinyl)furo[3,4-f][1,3]benzoxazole?
The IUPAC name of 5,5,7,7-tetrafluoro-2-(3-propan-2-yloxy-4-pyridinyl)furo[3,4-f][1,3]benzoxazole (CID 58148088) is 5,5,7,7-tetrafluoro-2-(3-propan-2-yloxy-4-pyridinyl)furo[3,4-f][1,3]benzoxazole.
What is the SMILES notation for 5,5,7,7-tetrafluoro-2-(3-propan-2-yloxy-4-pyridinyl)furo[3,4-f][1,3]benzoxazole?
The canonical SMILES for 5,5,7,7-tetrafluoro-2-(3-propan-2-yloxy-4-pyridinyl)furo[3,4-f][1,3]benzoxazole is CC(C)Oc1cnccc1-c1nc2cc3c(cc2o1)C(F)(F)OC3(F)F.
What is the InChIKey of 5,5,7,7-tetrafluoro-2-(3-propan-2-yloxy-4-pyridinyl)furo[3,4-f][1,3]benzoxazole?
The InChIKey is KLCZUNZRSBZYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N2O3/c1-8(2)24-14-7-22-4-3-9(14)15-23-12-5-10-11(6-13(12)25-15)17(20,21)26-16(10,18)19/h3-8H,1-2H3.
What are the key properties of 5,5,7,7-tetrafluoro-2-(3-propan-2-yloxy-4-pyridinyl)furo[3,4-f][1,3]benzoxazole?
5,5,7,7-tetrafluoro-2-(3-propan-2-yloxy-4-pyridinyl)furo[3,4-f][1,3]benzoxazole has a molecular weight of 368.29 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,7,7-tetrafluoro-2-(3-propan-2-yloxy-4-pyridinyl)furo[3,4-f][1,3]benzoxazole is sourced from PubChem (CID 58148088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).