N-[4-amino-1-(furan-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-yl-1,2-oxazole-4-carboxamide

C17H14N4O5 — CID 148741054

IUPACN-[4-amino-1-(furan-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-yl-1,2-oxazole-4-carboxamide
SMILESNC(=O)C(=O)C(Cc1ccoc1)NC(=O)c1conc1-c1ccccn1
InChIInChI=1S/C17H14N4O5/c18-16(23)15(22)13(7-10-4-6-25-8-10)20-17(24)11-9-26-21-14(11)12-3-1-2-5-19-12/h1-6,8-9,13H,7H2,(H2,18,23)(H,20,24)
InChIKeyOCVOWJQCIFLHHZ-UHFFFAOYSA-N
MW354.32 g/mol
LogP0.73
Rot. Bonds7

About N-[4-amino-1-(furan-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-yl-1,2-oxazole-4-carboxamide

N-[4-amino-1-(furan-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 148741054) has the molecular formula C17H14N4O5 and a molecular weight of 354.32 g/mol. Its IUPAC name is N-[4-amino-1-(furan-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-amino-1-(furan-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-yl-1,2-oxazole-4-carboxamide
PubChem CID148741054
Molecular FormulaC17H14N4O5
Molecular Weight354.32 g/mol
Exact Mass354.10
IUPAC NameN-[4-amino-1-(furan-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-yl-1,2-oxazole-4-carboxamide
SMILESNC(=O)C(=O)C(Cc1ccoc1)NC(=O)c1conc1-c1ccccn1
InChIInChI=1S/C17H14N4O5/c18-16(23)15(22)13(7-10-4-6-25-8-10)20-17(24)11-9-26-21-14(11)12-3-1-2-5-19-12/h1-6,8-9,13H,7H2,(H2,18,23)(H,20,24)
InChIKeyOCVOWJQCIFLHHZ-UHFFFAOYSA-N
XLogP0.73
TPSA141.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[4-amino-1-(furan-3-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 153386324
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 153385951
N-[4-amino-1-(1,2-oxazol-3-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide
CID 153385512
3-[[(E)-3-amino-2-methanimidoyl-3-pyridin-2-ylprop-2-enoyl]amino]-4-(furan-3-yl)-2-oxobutanamide
CID 153386288
N-(4-amino-3,4-dioxo-1-pyridin-4-ylbutan-2-yl)-4-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 152855471
N-(4-amino-3,4-dioxo-1-pyridin-3-ylbutan-2-yl)-5-pyridin-2-yl-1,2-thiazole-4-carboxamide
CID 153385966
N-(4-amino-3,4-dioxo-1-thiophen-3-ylbutan-2-yl)-5-pyridin-2-yl-1,2-thiazole-4-carboxamide
CID 147899427
N-(4-amino-3,4-dioxo-1-thiophen-3-ylbutan-2-yl)-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide
CID 153385303
methyl 3-pyridin-2-yl-1,2-oxazole-4-carboxylate
CID 767299
N-[4-amino-1-(1-methylpyrrol-3-yl)-3,4-dioxobutan-2-yl]-4-pyridin-2-yl-1,2,5-thiadiazole-3-carboxamide
CID 147878190
N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-5-methyl-4-pyridin-2-yl-1H-pyrrole-3-carboxamide
CID 153386322
N-[4-amino-3,4-dioxo-1-(1H-pyrrol-3-yl)butan-2-yl]-5-pyridin-2-yl-1H-pyrazole-4-carboxamide
CID 146702892

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-1-(furan-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-amino-1-(furan-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-yl-1,2-oxazole-4-carboxamide (CID 148741054) is N-[4-amino-1-(furan-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-amino-1-(furan-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-amino-1-(furan-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-yl-1,2-oxazole-4-carboxamide is NC(=O)C(=O)C(Cc1ccoc1)NC(=O)c1conc1-c1ccccn1.
What is the InChIKey of N-[4-amino-1-(furan-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is OCVOWJQCIFLHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O5/c18-16(23)15(22)13(7-10-4-6-25-8-10)20-17(24)11-9-26-21-14(11)12-3-1-2-5-19-12/h1-6,8-9,13H,7H2,(H2,18,23)(H,20,24).
What are the key properties of N-[4-amino-1-(furan-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-yl-1,2-oxazole-4-carboxamide?
N-[4-amino-1-(furan-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 354.32 g/mol, XLogP of 0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-1-(furan-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 148741054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).