2-[(3-fluorophenyl)methyl]-6-[2-[(1,3-oxazol-2-ylamino)methyl]piperidin-1-yl]pyridazin-3-one

C20H22FN5O2 — CID 126930954

IUPAC2-[(3-fluorophenyl)methyl]-6-[2-[(1,3-oxazol-2-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
SMILESO=c1ccc(N2CCCCC2CNc2ncco2)nn1Cc1cccc(F)c1
InChIInChI=1S/C20H22FN5O2/c21-16-5-3-4-15(12-16)14-26-19(27)8-7-18(24-26)25-10-2-1-6-17(25)13-23-20-22-9-11-28-20/h3-5,7-9,11-12,17H,1-2,6,10,13-14H2,(H,22,23)
InChIKeyOCNFAFBWHAYTKE-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.89
Rot. Bonds6

About 2-[(3-fluorophenyl)methyl]-6-[2-[(1,3-oxazol-2-ylamino)methyl]piperidin-1-yl]pyridazin-3-one

2-[(3-fluorophenyl)methyl]-6-[2-[(1,3-oxazol-2-ylamino)methyl]piperidin-1-yl]pyridazin-3-one (PubChem CID 126930954) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-6-[2-[(1,3-oxazol-2-ylamino)methyl]piperidin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-6-[2-[(1,3-oxazol-2-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
PubChem CID126930954
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC Name2-[(3-fluorophenyl)methyl]-6-[2-[(1,3-oxazol-2-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
SMILESO=c1ccc(N2CCCCC2CNc2ncco2)nn1Cc1cccc(F)c1
InChIInChI=1S/C20H22FN5O2/c21-16-5-3-4-15(12-16)14-26-19(27)8-7-18(24-26)25-10-2-1-6-17(25)13-23-20-22-9-11-28-20/h3-5,7-9,11-12,17H,1-2,6,10,13-14H2,(H,22,23)
InChIKeyOCNFAFBWHAYTKE-UHFFFAOYSA-N
XLogP2.89
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(3-fluorophenyl)methyl]-6-[2-[(1,3-oxazol-2-ylamino)methyl]piperidin-1-yl]pyridazin-3-one with MolForge

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Related Compounds

2-[(E)-[(2-fluorophenyl)methyl-[(Z)-1-(1,3-oxazol-2-yl)prop-1-enyl]hydrazinylidene]methyl]-5-methyl-1H-pyrimidin-6-one
CID 126491266
[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-[1-(1,3-oxazol-2-yl)piperidin-4-yl]methanone
CID 154023625
2-[(2S)-4-benzyl-2-methylpiperazin-1-yl]-1,3-oxazole
CID 152494184
2-(4-Benzyl-2-methylpiperazin-1-yl)-1,3-oxazole
CID 174438435
2-{2-[4-(1,3-Oxazol-2-yl)piperazin-1-yl]ethyl}-6-(pyridin-3-yl)-2,3-dihydropyridazin-3-one
CID 126915696
2-{4-[(1,3-Oxazol-2-yl)amino]cyclohexyl}-6-(pyridin-3-yl)-2,3-dihydropyridazin-3-one
CID 126936419
2-{4-[(1,3-Oxazol-2-yl)amino]cyclohexyl}-6-(pyridin-4-yl)-2,3-dihydropyridazin-3-one
CID 126936743

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-6-[2-[(1,3-oxazol-2-ylamino)methyl]piperidin-1-yl]pyridazin-3-one?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-6-[2-[(1,3-oxazol-2-ylamino)methyl]piperidin-1-yl]pyridazin-3-one (CID 126930954) is 2-[(3-fluorophenyl)methyl]-6-[2-[(1,3-oxazol-2-ylamino)methyl]piperidin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-6-[2-[(1,3-oxazol-2-ylamino)methyl]piperidin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-6-[2-[(1,3-oxazol-2-ylamino)methyl]piperidin-1-yl]pyridazin-3-one is O=c1ccc(N2CCCCC2CNc2ncco2)nn1Cc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-6-[2-[(1,3-oxazol-2-ylamino)methyl]piperidin-1-yl]pyridazin-3-one?
The InChIKey is OCNFAFBWHAYTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2/c21-16-5-3-4-15(12-16)14-26-19(27)8-7-18(24-26)25-10-2-1-6-17(25)13-23-20-22-9-11-28-20/h3-5,7-9,11-12,17H,1-2,6,10,13-14H2,(H,22,23).
What are the key properties of 2-[(3-fluorophenyl)methyl]-6-[2-[(1,3-oxazol-2-ylamino)methyl]piperidin-1-yl]pyridazin-3-one?
2-[(3-fluorophenyl)methyl]-6-[2-[(1,3-oxazol-2-ylamino)methyl]piperidin-1-yl]pyridazin-3-one has a molecular weight of 383.43 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-6-[2-[(1,3-oxazol-2-ylamino)methyl]piperidin-1-yl]pyridazin-3-one is sourced from PubChem (CID 126930954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).