N-[2-(diethylamino)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

C16H19F3N4O2 — CID 71230837

IUPACN-[2-(diethylamino)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C16H19F3N4O2/c1-3-23(4-2)10-9-20-14(24)12-7-5-11(6-8-12)13-21-15(25-22-13)16(17,18)19/h5-8H,3-4,9-10H2,1-2H3,(H,20,24)
InChIKeyPZAVITOFPPUOOH-UHFFFAOYSA-N
MW356.35 g/mol
LogP2.83
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

N-[2-(diethylamino)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 71230837) has the molecular formula C16H19F3N4O2 and a molecular weight of 356.35 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID71230837
Molecular FormulaC16H19F3N4O2
Molecular Weight356.35 g/mol
Exact Mass356.15
IUPAC NameN-[2-(diethylamino)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C16H19F3N4O2/c1-3-23(4-2)10-9-20-14(24)12-7-5-11(6-8-12)13-21-15(25-22-13)16(17,18)19/h5-8H,3-4,9-10H2,1-2H3,(H,20,24)
InChIKeyPZAVITOFPPUOOH-UHFFFAOYSA-N
XLogP2.83
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 71230837) is N-[2-(diethylamino)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is CCN(CC)CCNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is PZAVITOFPPUOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O2/c1-3-23(4-2)10-9-20-14(24)12-7-5-11(6-8-12)13-21-15(25-22-13)16(17,18)19/h5-8H,3-4,9-10H2,1-2H3,(H,20,24).
What are the key properties of N-[2-(diethylamino)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
N-[2-(diethylamino)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 356.35 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 71230837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).