1-[(4-fluorophenyl)methyl]-N-(3-methyl-1,2-oxazol-5-yl)-6-oxopyridazine-3-carboxamide

C16H13FN4O3 — CID 27376597

IUPAC1-[(4-fluorophenyl)methyl]-N-(3-methyl-1,2-oxazol-5-yl)-6-oxopyridazine-3-carboxamide
SMILESCc1cc(NC(=O)c2ccc(=O)n(Cc3ccc(F)cc3)n2)on1
InChIInChI=1S/C16H13FN4O3/c1-10-8-14(24-20-10)18-16(23)13-6-7-15(22)21(19-13)9-11-2-4-12(17)5-3-11/h2-8H,9H2,1H3,(H,18,23)
InChIKeyFYOWYCBAHHYNKX-UHFFFAOYSA-N
MW328.30 g/mol
LogP1.98
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-N-(3-methyl-1,2-oxazol-5-yl)-6-oxopyridazine-3-carboxamide

1-[(4-fluorophenyl)methyl]-N-(3-methyl-1,2-oxazol-5-yl)-6-oxopyridazine-3-carboxamide (PubChem CID 27376597) has the molecular formula C16H13FN4O3 and a molecular weight of 328.30 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-(3-methyl-1,2-oxazol-5-yl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-(3-methyl-1,2-oxazol-5-yl)-6-oxopyridazine-3-carboxamide
PubChem CID27376597
Molecular FormulaC16H13FN4O3
Molecular Weight328.30 g/mol
Exact Mass328.10
IUPAC Name1-[(4-fluorophenyl)methyl]-N-(3-methyl-1,2-oxazol-5-yl)-6-oxopyridazine-3-carboxamide
SMILESCc1cc(NC(=O)c2ccc(=O)n(Cc3ccc(F)cc3)n2)on1
InChIInChI=1S/C16H13FN4O3/c1-10-8-14(24-20-10)18-16(23)13-6-7-15(22)21(19-13)9-11-2-4-12(17)5-3-11/h2-8H,9H2,1H3,(H,18,23)
InChIKeyFYOWYCBAHHYNKX-UHFFFAOYSA-N
XLogP1.98
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(3-methyl-1,2-oxazol-5-yl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(3-methyl-1,2-oxazol-5-yl)-6-oxopyridazine-3-carboxamide (CID 27376597) is 1-[(4-fluorophenyl)methyl]-N-(3-methyl-1,2-oxazol-5-yl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-(3-methyl-1,2-oxazol-5-yl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-(3-methyl-1,2-oxazol-5-yl)-6-oxopyridazine-3-carboxamide is Cc1cc(NC(=O)c2ccc(=O)n(Cc3ccc(F)cc3)n2)on1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-(3-methyl-1,2-oxazol-5-yl)-6-oxopyridazine-3-carboxamide?
The InChIKey is FYOWYCBAHHYNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O3/c1-10-8-14(24-20-10)18-16(23)13-6-7-15(22)21(19-13)9-11-2-4-12(17)5-3-11/h2-8H,9H2,1H3,(H,18,23).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-(3-methyl-1,2-oxazol-5-yl)-6-oxopyridazine-3-carboxamide?
1-[(4-fluorophenyl)methyl]-N-(3-methyl-1,2-oxazol-5-yl)-6-oxopyridazine-3-carboxamide has a molecular weight of 328.30 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-(3-methyl-1,2-oxazol-5-yl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 27376597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).