1-(3-fluorophenyl)-3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyridazin-4-one

C19H17FN4O3 — CID 75463297

IUPAC1-(3-fluorophenyl)-3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyridazin-4-one
SMILESCc1cc(C2CCCN2C(=O)c2nn(-c3cccc(F)c3)ccc2=O)on1
InChIInChI=1S/C19H17FN4O3/c1-12-10-17(27-22-12)15-6-3-8-23(15)19(26)18-16(25)7-9-24(21-18)14-5-2-4-13(20)11-14/h2,4-5,7,9-11,15H,3,6,8H2,1H3
InChIKeySEESYTDHNUNAJL-UHFFFAOYSA-N
MW368.37 g/mol
LogP2.65
Rot. Bonds3

About 1-(3-fluorophenyl)-3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyridazin-4-one

1-(3-fluorophenyl)-3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyridazin-4-one (PubChem CID 75463297) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyridazin-4-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyridazin-4-one
PubChem CID75463297
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC Name1-(3-fluorophenyl)-3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyridazin-4-one
SMILESCc1cc(C2CCCN2C(=O)c2nn(-c3cccc(F)c3)ccc2=O)on1
InChIInChI=1S/C19H17FN4O3/c1-12-10-17(27-22-12)15-6-3-8-23(15)19(26)18-16(25)7-9-24(21-18)14-5-2-4-13(20)11-14/h2,4-5,7,9-11,15H,3,6,8H2,1H3
InChIKeySEESYTDHNUNAJL-UHFFFAOYSA-N
XLogP2.65
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyridazin-4-one?
The IUPAC name of 1-(3-fluorophenyl)-3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyridazin-4-one (CID 75463297) is 1-(3-fluorophenyl)-3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyridazin-4-one.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyridazin-4-one?
The canonical SMILES for 1-(3-fluorophenyl)-3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyridazin-4-one is Cc1cc(C2CCCN2C(=O)c2nn(-c3cccc(F)c3)ccc2=O)on1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyridazin-4-one?
The InChIKey is SEESYTDHNUNAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c1-12-10-17(27-22-12)15-6-3-8-23(15)19(26)18-16(25)7-9-24(21-18)14-5-2-4-13(20)11-14/h2,4-5,7,9-11,15H,3,6,8H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyridazin-4-one?
1-(3-fluorophenyl)-3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyridazin-4-one has a molecular weight of 368.37 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyridazin-4-one is sourced from PubChem (CID 75463297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).