5-(3-methoxyphenyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one

C15H10F3N3O3 — CID 2727202

IUPAC5-(3-methoxyphenyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one
SMILESCOc1cccc(-c2nn(-c3cc(C(F)(F)F)ccn3)c(=O)o2)c1
InChIInChI=1S/C15H10F3N3O3/c1-23-11-4-2-3-9(7-11)13-20-21(14(22)24-13)12-8-10(5-6-19-12)15(16,17)18/h2-8H,1H3
InChIKeyGRIOODDVLJBYQI-UHFFFAOYSA-N
MW337.26 g/mol
LogP2.91
Rot. Bonds3

About 5-(3-methoxyphenyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one

5-(3-methoxyphenyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one (PubChem CID 2727202) has the molecular formula C15H10F3N3O3 and a molecular weight of 337.26 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one
PubChem CID2727202
Molecular FormulaC15H10F3N3O3
Molecular Weight337.26 g/mol
Exact Mass337.07
IUPAC Name5-(3-methoxyphenyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one
SMILESCOc1cccc(-c2nn(-c3cc(C(F)(F)F)ccn3)c(=O)o2)c1
InChIInChI=1S/C15H10F3N3O3/c1-23-11-4-2-3-9(7-11)13-20-21(14(22)24-13)12-8-10(5-6-19-12)15(16,17)18/h2-8H,1H3
InChIKeyGRIOODDVLJBYQI-UHFFFAOYSA-N
XLogP2.91
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(3-methoxyphenyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one (CID 2727202) is 5-(3-methoxyphenyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(3-methoxyphenyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(3-methoxyphenyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one is COc1cccc(-c2nn(-c3cc(C(F)(F)F)ccn3)c(=O)o2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one?
The InChIKey is GRIOODDVLJBYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O3/c1-23-11-4-2-3-9(7-11)13-20-21(14(22)24-13)12-8-10(5-6-19-12)15(16,17)18/h2-8H,1H3.
What are the key properties of 5-(3-methoxyphenyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one?
5-(3-methoxyphenyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one has a molecular weight of 337.26 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 2727202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).