6-(3-methoxyphenyl)-2-[4-(1,3-oxazol-2-ylamino)oxolan-3-yl]pyridazin-3-one

C18H18N4O4 — CID 126939969

IUPAC6-(3-methoxyphenyl)-2-[4-(1,3-oxazol-2-ylamino)oxolan-3-yl]pyridazin-3-one
SMILESCOc1cccc(-c2ccc(=O)n(C3COCC3Nc3ncco3)n2)c1
InChIInChI=1S/C18H18N4O4/c1-24-13-4-2-3-12(9-13)14-5-6-17(23)22(21-14)16-11-25-10-15(16)20-18-19-7-8-26-18/h2-9,15-16H,10-11H2,1H3,(H,19,20)
InChIKeyZUFPTINXOUNHBJ-UHFFFAOYSA-N
MW354.37 g/mol
LogP1.96
Rot. Bonds5

About 6-(3-methoxyphenyl)-2-[4-(1,3-oxazol-2-ylamino)oxolan-3-yl]pyridazin-3-one

6-(3-methoxyphenyl)-2-[4-(1,3-oxazol-2-ylamino)oxolan-3-yl]pyridazin-3-one (PubChem CID 126939969) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-2-[4-(1,3-oxazol-2-ylamino)oxolan-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-2-[4-(1,3-oxazol-2-ylamino)oxolan-3-yl]pyridazin-3-one
PubChem CID126939969
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Name6-(3-methoxyphenyl)-2-[4-(1,3-oxazol-2-ylamino)oxolan-3-yl]pyridazin-3-one
SMILESCOc1cccc(-c2ccc(=O)n(C3COCC3Nc3ncco3)n2)c1
InChIInChI=1S/C18H18N4O4/c1-24-13-4-2-3-12(9-13)14-5-6-17(23)22(21-14)16-11-25-10-15(16)20-18-19-7-8-26-18/h2-9,15-16H,10-11H2,1H3,(H,19,20)
InChIKeyZUFPTINXOUNHBJ-UHFFFAOYSA-N
XLogP1.96
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-2-[4-(1,3-oxazol-2-ylamino)oxolan-3-yl]pyridazin-3-one?
The IUPAC name of 6-(3-methoxyphenyl)-2-[4-(1,3-oxazol-2-ylamino)oxolan-3-yl]pyridazin-3-one (CID 126939969) is 6-(3-methoxyphenyl)-2-[4-(1,3-oxazol-2-ylamino)oxolan-3-yl]pyridazin-3-one.
What is the SMILES notation for 6-(3-methoxyphenyl)-2-[4-(1,3-oxazol-2-ylamino)oxolan-3-yl]pyridazin-3-one?
The canonical SMILES for 6-(3-methoxyphenyl)-2-[4-(1,3-oxazol-2-ylamino)oxolan-3-yl]pyridazin-3-one is COc1cccc(-c2ccc(=O)n(C3COCC3Nc3ncco3)n2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-2-[4-(1,3-oxazol-2-ylamino)oxolan-3-yl]pyridazin-3-one?
The InChIKey is ZUFPTINXOUNHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-24-13-4-2-3-12(9-13)14-5-6-17(23)22(21-14)16-11-25-10-15(16)20-18-19-7-8-26-18/h2-9,15-16H,10-11H2,1H3,(H,19,20).
What are the key properties of 6-(3-methoxyphenyl)-2-[4-(1,3-oxazol-2-ylamino)oxolan-3-yl]pyridazin-3-one?
6-(3-methoxyphenyl)-2-[4-(1,3-oxazol-2-ylamino)oxolan-3-yl]pyridazin-3-one has a molecular weight of 354.37 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-2-[4-(1,3-oxazol-2-ylamino)oxolan-3-yl]pyridazin-3-one is sourced from PubChem (CID 126939969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).