6-(2-fluorophenyl)-2-(1,2-oxazol-3-ylmethyl)pyridazin-3-one

C14H10FN3O2 — CID 139001695

IUPAC6-(2-fluorophenyl)-2-(1,2-oxazol-3-ylmethyl)pyridazin-3-one
SMILESO=c1ccc(-c2ccccc2F)nn1Cc1ccon1
InChIInChI=1S/C14H10FN3O2/c15-12-4-2-1-3-11(12)13-5-6-14(19)18(16-13)9-10-7-8-20-17-10/h1-8H,9H2
InChIKeyAVMHXCTYPJWMHD-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.09
Rot. Bonds3

About 6-(2-fluorophenyl)-2-(1,2-oxazol-3-ylmethyl)pyridazin-3-one

6-(2-fluorophenyl)-2-(1,2-oxazol-3-ylmethyl)pyridazin-3-one (PubChem CID 139001695) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-2-(1,2-oxazol-3-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(2-fluorophenyl)-2-(1,2-oxazol-3-ylmethyl)pyridazin-3-one
PubChem CID139001695
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Name6-(2-fluorophenyl)-2-(1,2-oxazol-3-ylmethyl)pyridazin-3-one
SMILESO=c1ccc(-c2ccccc2F)nn1Cc1ccon1
InChIInChI=1S/C14H10FN3O2/c15-12-4-2-1-3-11(12)13-5-6-14(19)18(16-13)9-10-7-8-20-17-10/h1-8H,9H2
InChIKeyAVMHXCTYPJWMHD-UHFFFAOYSA-N
XLogP2.09
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methyl]-6-(2-fluorophenyl)pyridazin-3-one
CID 51044457
6-(2-fluorophenyl)-2-(2-hydroxy-2-phenylethyl)pyridazin-3-one
CID 110928593
2-(1,2-oxazol-3-ylmethyl)pyridazin-3-one
CID 19432609
2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
CID 3224521
2-[(2-fluorophenyl)methyl]-6-phenylpyridazin-3-one
CID 6461113
1-[2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]piperidine-4-carboxylic acid
CID 51054227
2-[2-(3-chlorophenyl)-2-hydroxyethyl]-6-(2-fluorophenyl)pyridazin-3-one
CID 111476768
6-(2-fluorophenyl)-2-[2-[(2S)-oxan-2-yl]oxyethyl]pyridazin-3-one
CID 99842273
6-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one
CID 7664368
(2S)-2-[[2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]-3-phenylpropanoic acid
CID 51053788
(2R,3S)-2-[[2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]-3-methylpentanoic acid
CID 95394872
N-(3-chloro-4-fluorophenyl)-2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 51043652

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-2-(1,2-oxazol-3-ylmethyl)pyridazin-3-one?
The IUPAC name of 6-(2-fluorophenyl)-2-(1,2-oxazol-3-ylmethyl)pyridazin-3-one (CID 139001695) is 6-(2-fluorophenyl)-2-(1,2-oxazol-3-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 6-(2-fluorophenyl)-2-(1,2-oxazol-3-ylmethyl)pyridazin-3-one?
The canonical SMILES for 6-(2-fluorophenyl)-2-(1,2-oxazol-3-ylmethyl)pyridazin-3-one is O=c1ccc(-c2ccccc2F)nn1Cc1ccon1.
What is the InChIKey of 6-(2-fluorophenyl)-2-(1,2-oxazol-3-ylmethyl)pyridazin-3-one?
The InChIKey is AVMHXCTYPJWMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c15-12-4-2-1-3-11(12)13-5-6-14(19)18(16-13)9-10-7-8-20-17-10/h1-8H,9H2.
What are the key properties of 6-(2-fluorophenyl)-2-(1,2-oxazol-3-ylmethyl)pyridazin-3-one?
6-(2-fluorophenyl)-2-(1,2-oxazol-3-ylmethyl)pyridazin-3-one has a molecular weight of 271.25 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-2-(1,2-oxazol-3-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 139001695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).