N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

C13H13F3N4O3S — CID 55933030

IUPACN-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccsc2)no1)NCC(=O)NCC(F)(F)F
InChIInChI=1S/C13H13F3N4O3S/c14-13(15,16)7-18-10(22)5-17-9(21)1-2-11-19-12(20-23-11)8-3-4-24-6-8/h3-4,6H,1-2,5,7H2,(H,17,21)(H,18,22)
InChIKeyJTVJKLGUIFENRW-UHFFFAOYSA-N
MW362.33 g/mol
LogP1.53
Rot. Bonds7

About N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 55933030) has the molecular formula C13H13F3N4O3S and a molecular weight of 362.33 g/mol. Its IUPAC name is N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID55933030
Molecular FormulaC13H13F3N4O3S
Molecular Weight362.33 g/mol
Exact Mass362.07
IUPAC NameN-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccsc2)no1)NCC(=O)NCC(F)(F)F
InChIInChI=1S/C13H13F3N4O3S/c14-13(15,16)7-18-10(22)5-17-9(21)1-2-11-19-12(20-23-11)8-3-4-24-6-8/h3-4,6H,1-2,5,7H2,(H,17,21)(H,18,22)
InChIKeyJTVJKLGUIFENRW-UHFFFAOYSA-N
XLogP1.53
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 55933030) is N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2ccsc2)no1)NCC(=O)NCC(F)(F)F.
What is the InChIKey of N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is JTVJKLGUIFENRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O3S/c14-13(15,16)7-18-10(22)5-17-9(21)1-2-11-19-12(20-23-11)8-3-4-24-6-8/h3-4,6H,1-2,5,7H2,(H,17,21)(H,18,22).
What are the key properties of N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 362.33 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 55933030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).