5-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one

C11H10F3N3O2 — CID 162676771

IUPAC5-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one
SMILESCN(C)c1ccc(-c2n[nH]c(=O)o2)cc1C(F)(F)F
InChIInChI=1S/C11H10F3N3O2/c1-17(2)8-4-3-6(5-7(8)11(12,13)14)9-15-16-10(18)19-9/h3-5H,1-2H3,(H,16,18)
InChIKeyJVOMDJHPNHDZQH-UHFFFAOYSA-N
MW273.21 g/mol
LogP2.11
Rot. Bonds2

About 5-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one

5-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 162676771) has the molecular formula C11H10F3N3O2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 5-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one
PubChem CID162676771
Molecular FormulaC11H10F3N3O2
Molecular Weight273.21 g/mol
Exact Mass273.07
IUPAC Name5-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one
SMILESCN(C)c1ccc(-c2n[nH]c(=O)o2)cc1C(F)(F)F
InChIInChI=1S/C11H10F3N3O2/c1-17(2)8-4-3-6(5-7(8)11(12,13)14)9-15-16-10(18)19-9/h3-5H,1-2H3,(H,16,18)
InChIKeyJVOMDJHPNHDZQH-UHFFFAOYSA-N
XLogP2.11
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(Dimethylamino)phenyl]-1,3,4-oxadiazol-2-ol
CID 85956355
5-[3-(Dimethylamino)phenyl]-1,3,4-oxadiazol-2-ol
CID 137773288
5-(1-Methylindolin-5-yl)-1,3,4-oxadiazol-2-ol
CID 146437789
US11427553, Example 223
CID 137462689
5-[4-Morpholino-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-ol
CID 146424925
5-[4-(3,3-Difluoroazetidin-1-yl)-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-ol
CID 146424947
5-[4-Pyrrolidin-1-yl-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-ol
CID 146424983
5-[4-(3-Fluoroazetidin-1-yl)-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-ol
CID 146425047
5-(3-(Pyrrolidin-1-yl)-4-(trifluoromethyl)phenyl)-1,3,4-oxadiazol-2-ol
CID 146438014
5-[1-(Cyclopropylmethyl)indolin-5-yl]-1,3,4-oxadiazol-2-ol
CID 146424934
5-(1-Ethylindolin-5-yl)-1,3,4-oxadiazol-2-ol
CID 146424975
5-(1-Isopropylindolin-5-yl)-1,3,4-oxadiazol-2-ol
CID 146438029

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one (CID 162676771) is 5-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one is CN(C)c1ccc(-c2n[nH]c(=O)o2)cc1C(F)(F)F.
What is the InChIKey of 5-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is JVOMDJHPNHDZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2/c1-17(2)8-4-3-6(5-7(8)11(12,13)14)9-15-16-10(18)19-9/h3-5H,1-2H3,(H,16,18).
What are the key properties of 5-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one?
5-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 273.21 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 162676771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).