[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-[5-(2-nitrophenyl)furan-2-yl]methanone

C25H26N4O6 — CID 3868866

IUPAC[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-[5-(2-nitrophenyl)furan-2-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCC2(CCN(C(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2)CC1
InChIInChI=1S/C25H26N4O6/c1-16-22(17(2)35-26-16)24(31)27-12-9-25(10-13-27)11-14-28(15-25)23(30)21-8-7-20(34-21)18-5-3-4-6-19(18)29(32)33/h3-8H,9-15H2,1-2H3
InChIKeyKFYVHSNSHQJXLJ-UHFFFAOYSA-N
MW478.51 g/mol
LogP4.23
Rot. Bonds4

About [8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-[5-(2-nitrophenyl)furan-2-yl]methanone

[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-[5-(2-nitrophenyl)furan-2-yl]methanone (PubChem CID 3868866) has the molecular formula C25H26N4O6 and a molecular weight of 478.51 g/mol. Its IUPAC name is [8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-[5-(2-nitrophenyl)furan-2-yl]methanone.

Molecular Properties

Compound Name[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-[5-(2-nitrophenyl)furan-2-yl]methanone
PubChem CID3868866
Molecular FormulaC25H26N4O6
Molecular Weight478.51 g/mol
Exact Mass478.19
IUPAC Name[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-[5-(2-nitrophenyl)furan-2-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCC2(CCN(C(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2)CC1
InChIInChI=1S/C25H26N4O6/c1-16-22(17(2)35-26-16)24(31)27-12-9-25(10-13-27)11-14-28(15-25)23(30)21-8-7-20(34-21)18-5-3-4-6-19(18)29(32)33/h3-8H,9-15H2,1-2H3
InChIKeyKFYVHSNSHQJXLJ-UHFFFAOYSA-N
XLogP4.23
TPSA122.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.51
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-[5-(2-nitrophenyl)furan-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-[5-(2-nitrophenyl)furan-2-yl]methanone?
The IUPAC name of [8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-[5-(2-nitrophenyl)furan-2-yl]methanone (CID 3868866) is [8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-[5-(2-nitrophenyl)furan-2-yl]methanone.
What is the SMILES notation for [8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-[5-(2-nitrophenyl)furan-2-yl]methanone?
The canonical SMILES for [8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-[5-(2-nitrophenyl)furan-2-yl]methanone is Cc1noc(C)c1C(=O)N1CCC2(CCN(C(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2)CC1.
What is the InChIKey of [8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-[5-(2-nitrophenyl)furan-2-yl]methanone?
The InChIKey is KFYVHSNSHQJXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O6/c1-16-22(17(2)35-26-16)24(31)27-12-9-25(10-13-27)11-14-28(15-25)23(30)21-8-7-20(34-21)18-5-3-4-6-19(18)29(32)33/h3-8H,9-15H2,1-2H3.
What are the key properties of [8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-[5-(2-nitrophenyl)furan-2-yl]methanone?
[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-[5-(2-nitrophenyl)furan-2-yl]methanone has a molecular weight of 478.51 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-[5-(2-nitrophenyl)furan-2-yl]methanone is sourced from PubChem (CID 3868866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).