N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

C23H21N5O4 — CID 24606458

IUPACN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C23H21N5O4/c29-18(27-28-21(30)23(24-22(28)31)13-5-2-6-14-23)15-9-11-17(12-10-15)20-26-25-19(32-20)16-7-3-1-4-8-16/h1,3-4,7-12H,2,5-6,13-14H2,(H,24,31)(H,27,29)
InChIKeyKSORSPUIIFODIY-UHFFFAOYSA-N
MW431.45 g/mol
LogP3.30
Rot. Bonds4

About N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 24606458) has the molecular formula C23H21N5O4 and a molecular weight of 431.45 g/mol. Its IUPAC name is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID24606458
Molecular FormulaC23H21N5O4
Molecular Weight431.45 g/mol
Exact Mass431.16
IUPAC NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C23H21N5O4/c29-18(27-28-21(30)23(24-22(28)31)13-5-2-6-14-23)15-9-11-17(12-10-15)20-26-25-19(32-20)16-7-3-1-4-8-16/h1,3-4,7-12H,2,5-6,13-14H2,(H,24,31)(H,27,29)
InChIKeyKSORSPUIIFODIY-UHFFFAOYSA-N
XLogP3.30
TPSA117.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide (CID 24606458) is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide is O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is KSORSPUIIFODIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4/c29-18(27-28-21(30)23(24-22(28)31)13-5-2-6-14-23)15-9-11-17(12-10-15)20-26-25-19(32-20)16-7-3-1-4-8-16/h1,3-4,7-12H,2,5-6,13-14H2,(H,24,31)(H,27,29).
What are the key properties of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 431.45 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 24606458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).