N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide

C21H20F3N5O3 — CID 55499846

IUPACN-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)CCc1nc(-c2ccncc2)no1
InChIInChI=1S/C21H20F3N5O3/c1-2-11-29(12-16(30)26-15-4-3-14(22)19(23)20(15)24)18(31)6-5-17-27-21(28-32-17)13-7-9-25-10-8-13/h3-4,7-10H,2,5-6,11-12H2,1H3,(H,26,30)
InChIKeyHRSWDTKYXPJUSB-UHFFFAOYSA-N
MW447.42 g/mol
LogP3.36
Rot. Bonds9

About N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 55499846) has the molecular formula C21H20F3N5O3 and a molecular weight of 447.42 g/mol. Its IUPAC name is N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID55499846
Molecular FormulaC21H20F3N5O3
Molecular Weight447.42 g/mol
Exact Mass447.15
IUPAC NameN-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)CCc1nc(-c2ccncc2)no1
InChIInChI=1S/C21H20F3N5O3/c1-2-11-29(12-16(30)26-15-4-3-14(22)19(23)20(15)24)18(31)6-5-17-27-21(28-32-17)13-7-9-25-10-8-13/h3-4,7-10H,2,5-6,11-12H2,1H3,(H,26,30)
InChIKeyHRSWDTKYXPJUSB-UHFFFAOYSA-N
XLogP3.36
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyridine-4-carboxamide
CID 27773073
2-[propyl-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 41304136
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 27813187
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
CID 46554976
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]butanamide
CID 55648390
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
CID 24627445
2-(2-chloro-6-fluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
CID 24677447
N-(4-chlorophenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 41466780
N-piperidin-4-yl-N-propyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119823978
2-[methyl-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid
CID 119358642
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 27773173
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 109001471

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 55499846) is N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)CCc1nc(-c2ccncc2)no1.
What is the InChIKey of N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is HRSWDTKYXPJUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O3/c1-2-11-29(12-16(30)26-15-4-3-14(22)19(23)20(15)24)18(31)6-5-17-27-21(28-32-17)13-7-9-25-10-8-13/h3-4,7-10H,2,5-6,11-12H2,1H3,(H,26,30).
What are the key properties of N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 447.42 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 55499846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).