N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide

C17H17N5O4 — CID 77086255

IUPACN-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
SMILESO=C(NCCc1noc(C2CCC2)n1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C17H17N5O4/c23-14(10-4-5-11-12(8-10)20-16(25)15(24)19-11)18-7-6-13-21-17(26-22-13)9-2-1-3-9/h4-5,8-9H,1-3,6-7H2,(H,18,23)(H,19,24)(H,20,25)
InChIKeyUCTOLMWSGNRHPU-UHFFFAOYSA-N
MW355.35 g/mol
LogP0.84
Rot. Bonds5

About N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide

N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide (PubChem CID 77086255) has the molecular formula C17H17N5O4 and a molecular weight of 355.35 g/mol. Its IUPAC name is N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
PubChem CID77086255
Molecular FormulaC17H17N5O4
Molecular Weight355.35 g/mol
Exact Mass355.13
IUPAC NameN-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
SMILESO=C(NCCc1noc(C2CCC2)n1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C17H17N5O4/c23-14(10-4-5-11-12(8-10)20-16(25)15(24)19-11)18-7-6-13-21-17(26-22-13)9-2-1-3-9/h4-5,8-9H,1-3,6-7H2,(H,18,23)(H,19,24)(H,20,25)
InChIKeyUCTOLMWSGNRHPU-UHFFFAOYSA-N
XLogP0.84
TPSA133.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-6-methyl-4-oxo-1H-pyridine-2-carboxamide
CID 121494301
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-carboxamide
CID 91907182
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 77087696
1-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
CID 118771328
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-1,7-dimethylindole-2-carboxamide
CID 72901674
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-7-fluoro-2-methylquinoline-4-carboxamide
CID 70747971
(2S)-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-hydroxy-3-phenylpropanamide
CID 77087549
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 91917581
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172665894
1-(4-aminocyclohexyl)-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide
CID 70777138
(2S)-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-ethoxypropanamide
CID 126436754
N-[3-(1-methylpyrazol-4-yl)propyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 91770397

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
The IUPAC name of N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide (CID 77086255) is N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide.
What is the SMILES notation for N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
The canonical SMILES for N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide is O=C(NCCc1noc(C2CCC2)n1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1.
What is the InChIKey of N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
The InChIKey is UCTOLMWSGNRHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4/c23-14(10-4-5-11-12(8-10)20-16(25)15(24)19-11)18-7-6-13-21-17(26-22-13)9-2-1-3-9/h4-5,8-9H,1-3,6-7H2,(H,18,23)(H,19,24)(H,20,25).
What are the key properties of N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide?
N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide has a molecular weight of 355.35 g/mol, XLogP of 0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide is sourced from PubChem (CID 77086255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).