3-[[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole

C20H21FN4O2 — CID 154580520

IUPAC3-[[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2CCC(COc3ccc(-c4cccc(F)c4)nn3)C2)no1
InChIInChI=1S/C20H21FN4O2/c1-14-9-18(24-27-14)12-25-8-7-15(11-25)13-26-20-6-5-19(22-23-20)16-3-2-4-17(21)10-16/h2-6,9-10,15H,7-8,11-13H2,1H3
InChIKeyMSAVPRNABPKKQE-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.48
Rot. Bonds6

About 3-[[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole

3-[[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole (PubChem CID 154580520) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 3-[[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole
PubChem CID154580520
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name3-[[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2CCC(COc3ccc(-c4cccc(F)c4)nn3)C2)no1
InChIInChI=1S/C20H21FN4O2/c1-14-9-18(24-27-14)12-25-8-7-15(11-25)13-26-20-6-5-19(22-23-20)16-3-2-4-17(21)10-16/h2-6,9-10,15H,7-8,11-13H2,1H3
InChIKeyMSAVPRNABPKKQE-UHFFFAOYSA-N
XLogP3.48
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]sulfonylmorpholine
CID 154581531
3-(3-fluorophenyl)-6-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine
CID 154581567
[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 154581477
3-(3-fluorophenyl)-5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
CID 95275327
3-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 172891629
2-methyl-N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 55081638
5-methyl-3-[[4-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]methyl]-1,2-oxazole
CID 171324061
1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol
CID 62917538
2-[[1-(2-ethyl-2-fluorobutyl)piperidin-4-yl]methoxy]-5-(3-fluorophenyl)pyridine
CID 141382294
3-[[(3R,4S)-3-benzyl-4-methoxypiperidin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 124797918
3-[(3-tert-butylpyrrolidin-1-yl)methyl]-5-methyl-1,2-oxazole
CID 58235129
2-methyl-N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 55256260

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole (CID 154580520) is 3-[[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole is Cc1cc(CN2CCC(COc3ccc(-c4cccc(F)c4)nn3)C2)no1.
What is the InChIKey of 3-[[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole?
The InChIKey is MSAVPRNABPKKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-14-9-18(24-27-14)12-25-8-7-15(11-25)13-26-20-6-5-19(22-23-20)16-3-2-4-17(21)10-16/h2-6,9-10,15H,7-8,11-13H2,1H3.
What are the key properties of 3-[[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole?
3-[[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole has a molecular weight of 368.41 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 154580520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).