1-(furan-2-yl)-2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone;oxalic acid

C17H19N3O8 — CID 71780728

IUPAC1-(furan-2-yl)-2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone;oxalic acid
SMILESCc1cc(C(=O)N2CCN(CC(=O)c3ccco3)CC2)no1.O=C(O)C(=O)O
InChIInChI=1S/C15H17N3O4.C2H2O4/c1-11-9-12(16-22-11)15(20)18-6-4-17(5-7-18)10-13(19)14-3-2-8-21-14;3-1(4)2(5)6/h2-3,8-9H,4-7,10H2,1H3;(H,3,4)(H,5,6)
InChIKeyCYKJEQHXOKUPQC-UHFFFAOYSA-N
MW393.35 g/mol
LogP0.37
Rot. Bonds4

About 1-(furan-2-yl)-2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone;oxalic acid

1-(furan-2-yl)-2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone;oxalic acid (PubChem CID 71780728) has the molecular formula C17H19N3O8 and a molecular weight of 393.35 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone;oxalic acid.

Molecular Properties

Compound Name1-(furan-2-yl)-2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone;oxalic acid
PubChem CID71780728
Molecular FormulaC17H19N3O8
Molecular Weight393.35 g/mol
Exact Mass393.12
IUPAC Name1-(furan-2-yl)-2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone;oxalic acid
SMILESCc1cc(C(=O)N2CCN(CC(=O)c3ccco3)CC2)no1.O=C(O)C(=O)O
InChIInChI=1S/C15H17N3O4.C2H2O4/c1-11-9-12(16-22-11)15(20)18-6-4-17(5-7-18)10-13(19)14-3-2-8-21-14;3-1(4)2(5)6/h2-3,8-9H,4-7,10H2,1H3;(H,3,4)(H,5,6)
InChIKeyCYKJEQHXOKUPQC-UHFFFAOYSA-N
XLogP0.37
TPSA154.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.35
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-(furan-2-yl)-2-[4-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone;oxalic acid
CID 71780708
2-[4-(2,1,3-benzothiadiazole-5-carbonyl)piperazin-1-yl]-1-(furan-2-yl)ethanone;oxalic acid
CID 71780710
1-(furan-2-yl)-2-[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]ethanone;oxalic acid
CID 71780727
furan-2-yl-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]methanone
CID 3822140
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51176978
1-[4-(5-methyl-1,2-oxazole-3-carbonyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 110645725
2-[4-(2-benzylsulfanylacetyl)piperazin-1-yl]-1-(furan-2-yl)ethanone;oxalic acid
CID 71780737
(5-methyl-1,2-oxazol-3-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 1246806
4-[2-(furan-2-yl)-2-oxoethyl]-N,N-dimethylpiperazine-1-sulfonamide;oxalic acid
CID 121077548
[4-(5-methyl-1,2-oxazole-3-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 110645702
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one
CID 109030150
furan-2-yl-[4-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carbonyl]piperazin-1-yl]methanone
CID 109353097

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone;oxalic acid?
The IUPAC name of 1-(furan-2-yl)-2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone;oxalic acid (CID 71780728) is 1-(furan-2-yl)-2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone;oxalic acid.
What is the SMILES notation for 1-(furan-2-yl)-2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone;oxalic acid?
The canonical SMILES for 1-(furan-2-yl)-2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone;oxalic acid is Cc1cc(C(=O)N2CCN(CC(=O)c3ccco3)CC2)no1.O=C(O)C(=O)O.
What is the InChIKey of 1-(furan-2-yl)-2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone;oxalic acid?
The InChIKey is CYKJEQHXOKUPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4.C2H2O4/c1-11-9-12(16-22-11)15(20)18-6-4-17(5-7-18)10-13(19)14-3-2-8-21-14;3-1(4)2(5)6/h2-3,8-9H,4-7,10H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 1-(furan-2-yl)-2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone;oxalic acid?
1-(furan-2-yl)-2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone;oxalic acid has a molecular weight of 393.35 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]ethanone;oxalic acid is sourced from PubChem (CID 71780728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).