N-cyclopentyl-3-[4-ethyl-2-(4-fluorophenyl)-3,5-dioxo-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-carboxamide

C19H19FN6O4 — CID 50776509

IUPACN-cyclopentyl-3-[4-ethyl-2-(4-fluorophenyl)-3,5-dioxo-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-carboxamide
SMILESCCn1c(=O)c(-c2noc(C(=O)NC3CCCC3)n2)nn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C19H19FN6O4/c1-2-25-18(28)14(23-26(19(25)29)13-9-7-11(20)8-10-13)15-22-17(30-24-15)16(27)21-12-5-3-4-6-12/h7-10,12H,2-6H2,1H3,(H,21,27)
InChIKeyDPRGLIIIMHVNED-UHFFFAOYSA-N
MW414.40 g/mol
LogP1.28
Rot. Bonds5

About N-cyclopentyl-3-[4-ethyl-2-(4-fluorophenyl)-3,5-dioxo-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-carboxamide

N-cyclopentyl-3-[4-ethyl-2-(4-fluorophenyl)-3,5-dioxo-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 50776509) has the molecular formula C19H19FN6O4 and a molecular weight of 414.40 g/mol. Its IUPAC name is N-cyclopentyl-3-[4-ethyl-2-(4-fluorophenyl)-3,5-dioxo-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[4-ethyl-2-(4-fluorophenyl)-3,5-dioxo-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID50776509
Molecular FormulaC19H19FN6O4
Molecular Weight414.40 g/mol
Exact Mass414.15
IUPAC NameN-cyclopentyl-3-[4-ethyl-2-(4-fluorophenyl)-3,5-dioxo-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-carboxamide
SMILESCCn1c(=O)c(-c2noc(C(=O)NC3CCCC3)n2)nn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C19H19FN6O4/c1-2-25-18(28)14(23-26(19(25)29)13-9-7-11(20)8-10-13)15-22-17(30-24-15)16(27)21-12-5-3-4-6-12/h7-10,12H,2-6H2,1H3,(H,21,27)
InChIKeyDPRGLIIIMHVNED-UHFFFAOYSA-N
XLogP1.28
TPSA124.91 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.40
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-[4-ethyl-2-(4-fluorophenyl)-3,5-dioxo-1,2,4-triazin-6-yl]-N-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 50776334
3-[4-ethyl-2-(4-fluorophenyl)-3,5-dioxo-1,2,4-triazin-6-yl]-N-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 50776592
3-[4-ethyl-2-(4-fluorophenyl)-3,5-dioxo-1,2,4-triazin-6-yl]-N-(pyridin-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 50776252
3-[4-ethyl-2-(4-fluorophenyl)-3,5-dioxo-1,2,4-triazin-6-yl]-N-[(2R)-4-phenylbutan-2-yl]-1,2,4-oxadiazole-5-carboxamide
CID 94074429
3-[4-ethyl-2-(4-fluorophenyl)-3,5-dioxo-1,2,4-triazin-6-yl]-N-(4-phenylbutan-2-yl)-1,2,4-oxadiazole-5-carboxamide
CID 50776457
3-[4-ethyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazin-6-yl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 94074544
3-[4-ethyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazin-6-yl]-N-(2-methoxyethyl)-1,2,4-oxadiazole-5-carboxamide
CID 50776388
N-[2-(cyclohexen-1-yl)ethyl]-3-[4-ethyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-carboxamide
CID 50776284
N-cyclopentyl-3-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide
CID 20931773
N-[2-(4-chlorophenyl)ethyl]-3-(4-ethyl-3,5-dioxo-2-phenyl-1,2,4-triazin-6-yl)-1,2,4-oxadiazole-5-carboxamide
CID 50776425
3-[2-(4-fluorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazin-6-yl]-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 50776564
4-ethyl-2-(4-methylphenyl)-6-[5-(3-phenylpyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-1,2,4-triazine-3,5-dione
CID 50776440

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[4-ethyl-2-(4-fluorophenyl)-3,5-dioxo-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-cyclopentyl-3-[4-ethyl-2-(4-fluorophenyl)-3,5-dioxo-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-carboxamide (CID 50776509) is N-cyclopentyl-3-[4-ethyl-2-(4-fluorophenyl)-3,5-dioxo-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-[4-ethyl-2-(4-fluorophenyl)-3,5-dioxo-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-3-[4-ethyl-2-(4-fluorophenyl)-3,5-dioxo-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-carboxamide is CCn1c(=O)c(-c2noc(C(=O)NC3CCCC3)n2)nn(-c2ccc(F)cc2)c1=O.
What is the InChIKey of N-cyclopentyl-3-[4-ethyl-2-(4-fluorophenyl)-3,5-dioxo-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is DPRGLIIIMHVNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O4/c1-2-25-18(28)14(23-26(19(25)29)13-9-7-11(20)8-10-13)15-22-17(30-24-15)16(27)21-12-5-3-4-6-12/h7-10,12H,2-6H2,1H3,(H,21,27).
What are the key properties of N-cyclopentyl-3-[4-ethyl-2-(4-fluorophenyl)-3,5-dioxo-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-carboxamide?
N-cyclopentyl-3-[4-ethyl-2-(4-fluorophenyl)-3,5-dioxo-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 414.40 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[4-ethyl-2-(4-fluorophenyl)-3,5-dioxo-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 50776509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).