3-[[5-[3-(difluoromethoxy)-4-fluorophenyl]-2-methyl-3-pyridinyl]methyl]-2H-1,3-oxazole

C17H15F3N2O2 — CID 162719369

IUPAC3-[[5-[3-(difluoromethoxy)-4-fluorophenyl]-2-methyl-3-pyridinyl]methyl]-2H-1,3-oxazole
SMILESCc1ncc(-c2ccc(F)c(OC(F)F)c2)cc1CN1C=COC1
InChIInChI=1S/C17H15F3N2O2/c1-11-14(9-22-4-5-23-10-22)6-13(8-21-11)12-2-3-15(18)16(7-12)24-17(19)20/h2-8,17H,9-10H2,1H3
InChIKeySALOAXGMOCBTDZ-UHFFFAOYSA-N
MW336.31 g/mol
LogP4.06
Rot. Bonds5

About 3-[[5-[3-(difluoromethoxy)-4-fluorophenyl]-2-methyl-3-pyridinyl]methyl]-2H-1,3-oxazole

3-[[5-[3-(difluoromethoxy)-4-fluorophenyl]-2-methyl-3-pyridinyl]methyl]-2H-1,3-oxazole (PubChem CID 162719369) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is 3-[[5-[3-(difluoromethoxy)-4-fluorophenyl]-2-methyl-3-pyridinyl]methyl]-2H-1,3-oxazole.

Molecular Properties

Compound Name3-[[5-[3-(difluoromethoxy)-4-fluorophenyl]-2-methyl-3-pyridinyl]methyl]-2H-1,3-oxazole
PubChem CID162719369
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC Name3-[[5-[3-(difluoromethoxy)-4-fluorophenyl]-2-methyl-3-pyridinyl]methyl]-2H-1,3-oxazole
SMILESCc1ncc(-c2ccc(F)c(OC(F)F)c2)cc1CN1C=COC1
InChIInChI=1S/C17H15F3N2O2/c1-11-14(9-22-4-5-23-10-22)6-13(8-21-11)12-2-3-15(18)16(7-12)24-17(19)20/h2-8,17H,9-10H2,1H3
InChIKeySALOAXGMOCBTDZ-UHFFFAOYSA-N
XLogP4.06
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-[3-(difluoromethoxy)-4-fluorophenyl]-2-methyl-3-pyridinyl]methyl]-2H-1,3-oxazole?
The IUPAC name of 3-[[5-[3-(difluoromethoxy)-4-fluorophenyl]-2-methyl-3-pyridinyl]methyl]-2H-1,3-oxazole (CID 162719369) is 3-[[5-[3-(difluoromethoxy)-4-fluorophenyl]-2-methyl-3-pyridinyl]methyl]-2H-1,3-oxazole.
What is the SMILES notation for 3-[[5-[3-(difluoromethoxy)-4-fluorophenyl]-2-methyl-3-pyridinyl]methyl]-2H-1,3-oxazole?
The canonical SMILES for 3-[[5-[3-(difluoromethoxy)-4-fluorophenyl]-2-methyl-3-pyridinyl]methyl]-2H-1,3-oxazole is Cc1ncc(-c2ccc(F)c(OC(F)F)c2)cc1CN1C=COC1.
What is the InChIKey of 3-[[5-[3-(difluoromethoxy)-4-fluorophenyl]-2-methyl-3-pyridinyl]methyl]-2H-1,3-oxazole?
The InChIKey is SALOAXGMOCBTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c1-11-14(9-22-4-5-23-10-22)6-13(8-21-11)12-2-3-15(18)16(7-12)24-17(19)20/h2-8,17H,9-10H2,1H3.
What are the key properties of 3-[[5-[3-(difluoromethoxy)-4-fluorophenyl]-2-methyl-3-pyridinyl]methyl]-2H-1,3-oxazole?
3-[[5-[3-(difluoromethoxy)-4-fluorophenyl]-2-methyl-3-pyridinyl]methyl]-2H-1,3-oxazole has a molecular weight of 336.31 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[3-(difluoromethoxy)-4-fluorophenyl]-2-methyl-3-pyridinyl]methyl]-2H-1,3-oxazole is sourced from PubChem (CID 162719369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).