1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide

C21H25N3O4 — CID 131680767

IUPAC1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
SMILESCc1noc(C)c1C(=O)N1CCC2(CC1)OC(C(=O)N(C)C)c1ccccc12
InChIInChI=1S/C21H25N3O4/c1-13-17(14(2)28-22-13)19(25)24-11-9-21(10-12-24)16-8-6-5-7-15(16)18(27-21)20(26)23(3)4/h5-8,18H,9-12H2,1-4H3
InChIKeyVSUUWEZMZSVHHK-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.58
Rot. Bonds2

About 1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide

1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide (PubChem CID 131680767) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound Name1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
PubChem CID131680767
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
SMILESCc1noc(C)c1C(=O)N1CCC2(CC1)OC(C(=O)N(C)C)c1ccccc12
InChIInChI=1S/C21H25N3O4/c1-13-17(14(2)28-22-13)19(25)24-11-9-21(10-12-24)16-8-6-5-7-15(16)18(27-21)20(26)23(3)4/h5-8,18H,9-12H2,1-4H3
InChIKeyVSUUWEZMZSVHHK-UHFFFAOYSA-N
XLogP2.58
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide with MolForge

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Related Compounds

1-N,1-N,1-N',1-N'-tetramethylspiro[1H-2-benzofuran-3,4'-piperidine]-1,1'-dicarboxamide
CID 118739574
1'-(furan-3-carbonyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
CID 118739576
N,N-dimethyl-1'-[(1-methylimidazol-2-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
CID 134075955
4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 38725800
1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-ethylspiro[indole-3,4'-piperidine]-2-one
CID 91914391
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 71706126
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63125770
(2R)-1-acetyl-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylpiperazine-2-carboxamide
CID 125024247
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[methyl(pyridin-2-yl)amino]piperidin-1-yl]methanone
CID 163347120
N,N-dimethyl-1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxamide
CID 78779333
3-[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]-1,1-dimethylurea
CID 131642141
[4-[(2-chlorophenyl)methylsulfonyl]piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 110646748

Frequently Asked Questions

What is the IUPAC name of 1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide?
The IUPAC name of 1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide (CID 131680767) is 1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for 1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for 1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide is Cc1noc(C)c1C(=O)N1CCC2(CC1)OC(C(=O)N(C)C)c1ccccc12.
What is the InChIKey of 1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide?
The InChIKey is VSUUWEZMZSVHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-13-17(14(2)28-22-13)19(25)24-11-9-21(10-12-24)16-8-6-5-7-15(16)18(27-21)20(26)23(3)4/h5-8,18H,9-12H2,1-4H3.
What are the key properties of 1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide?
1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 131680767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).