2-methyl-5-[5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]-3-pyridinyl]-1,3,4-oxadiazole

C19H15F3N4O4 — CID 90750191

IUPAC2-methyl-5-[5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCc1nnc(-c2cncc(OC3=CC(C)(c4ccc(OC(F)(F)F)cc4)ON3)c2)o1
InChIInChI=1S/C19H15F3N4O4/c1-11-24-25-17(27-11)12-7-15(10-23-9-12)28-16-8-18(2,30-26-16)13-3-5-14(6-4-13)29-19(20,21)22/h3-10,26H,1-2H3
InChIKeyDPQCGULVQJIEEX-UHFFFAOYSA-N
MW420.35 g/mol
LogP4.01
Rot. Bonds5

About 2-methyl-5-[5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]-3-pyridinyl]-1,3,4-oxadiazole

2-methyl-5-[5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 90750191) has the molecular formula C19H15F3N4O4 and a molecular weight of 420.35 g/mol. Its IUPAC name is 2-methyl-5-[5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID90750191
Molecular FormulaC19H15F3N4O4
Molecular Weight420.35 g/mol
Exact Mass420.10
IUPAC Name2-methyl-5-[5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCc1nnc(-c2cncc(OC3=CC(C)(c4ccc(OC(F)(F)F)cc4)ON3)c2)o1
InChIInChI=1S/C19H15F3N4O4/c1-11-24-25-17(27-11)12-7-15(10-23-9-12)28-16-8-18(2,30-26-16)13-3-5-14(6-4-13)29-19(20,21)22/h3-10,26H,1-2H3
InChIKeyDPQCGULVQJIEEX-UHFFFAOYSA-N
XLogP4.01
TPSA91.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.35
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]-3-pyridinyl]-1,3,4-oxadiazole (CID 90750191) is 2-methyl-5-[5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]-3-pyridinyl]-1,3,4-oxadiazole is Cc1nnc(-c2cncc(OC3=CC(C)(c4ccc(OC(F)(F)F)cc4)ON3)c2)o1.
What is the InChIKey of 2-methyl-5-[5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is DPQCGULVQJIEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O4/c1-11-24-25-17(27-11)12-7-15(10-23-9-12)28-16-8-18(2,30-26-16)13-3-5-14(6-4-13)29-19(20,21)22/h3-10,26H,1-2H3.
What are the key properties of 2-methyl-5-[5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]-3-pyridinyl]-1,3,4-oxadiazole?
2-methyl-5-[5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 420.35 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[5-[[5-methyl-5-[4-(trifluoromethoxy)phenyl]-2H-1,2-oxazol-3-yl]oxy]-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 90750191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).