5-(furan-2-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1,2-oxazole-3-carboxamide

C19H17N7O3 — CID 122289324

IUPAC5-(furan-2-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCNc1ccc(Nc2cccnc2)nn1)c1cc(-c2ccco2)on1
InChIInChI=1S/C19H17N7O3/c27-19(14-11-16(29-26-14)15-4-2-10-28-15)22-9-8-21-17-5-6-18(25-24-17)23-13-3-1-7-20-12-13/h1-7,10-12H,8-9H2,(H,21,24)(H,22,27)(H,23,25)
InChIKeyTXVZGQHQUWFRBM-UHFFFAOYSA-N
MW391.39 g/mol
LogP2.71
Rot. Bonds8

About 5-(furan-2-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1,2-oxazole-3-carboxamide

5-(furan-2-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 122289324) has the molecular formula C19H17N7O3 and a molecular weight of 391.39 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1,2-oxazole-3-carboxamide
PubChem CID122289324
Molecular FormulaC19H17N7O3
Molecular Weight391.39 g/mol
Exact Mass391.14
IUPAC Name5-(furan-2-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCNc1ccc(Nc2cccnc2)nn1)c1cc(-c2ccco2)on1
InChIInChI=1S/C19H17N7O3/c27-19(14-11-16(29-26-14)15-4-2-10-28-15)22-9-8-21-17-5-6-18(25-24-17)23-13-3-1-7-20-12-13/h1-7,10-12H,8-9H2,(H,21,24)(H,22,27)(H,23,25)
InChIKeyTXVZGQHQUWFRBM-UHFFFAOYSA-N
XLogP2.71
TPSA131.00 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 5-(furan-2-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

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3-bromo-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
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N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1-benzofuran-2-carboxamide
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N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]cyclopropanecarboxamide
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5-propan-2-yl-N-[2-(pyridin-3-ylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 70777572
5-(furan-2-yl)-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide
CID 15995731
ethane;5-(furan-2-yl)-N-(2-imidazol-1-ylethyl)-1,2-oxazole-3-carboxamide
CID 166135908
5-(furan-2-yl)-N-(2-methylsulfonylethyl)-1,2-oxazole-3-carboxamide
CID 110357164
2-(1H-indol-3-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 121066481
4-butoxy-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1,2-oxazole-3-carboxamide (CID 122289324) is 5-(furan-2-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1,2-oxazole-3-carboxamide is O=C(NCCNc1ccc(Nc2cccnc2)nn1)c1cc(-c2ccco2)on1.
What is the InChIKey of 5-(furan-2-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is TXVZGQHQUWFRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O3/c27-19(14-11-16(29-26-14)15-4-2-10-28-15)22-9-8-21-17-5-6-18(25-24-17)23-13-3-1-7-20-12-13/h1-7,10-12H,8-9H2,(H,21,24)(H,22,27)(H,23,25).
What are the key properties of 5-(furan-2-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1,2-oxazole-3-carboxamide?
5-(furan-2-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 391.39 g/mol, XLogP of 2.71, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 122289324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).