4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one

C21H24N4O3 — CID 59651877

IUPAC4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one
SMILESCc1onc2c(=O)[nH]nc(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)c12
InChIInChI=1S/C21H24N4O3/c1-13-18-19(22-23-21(26)20(18)24-28-13)14-5-7-16(8-6-14)27-17-9-11-25(12-10-17)15-3-2-4-15/h5-8,15,17H,2-4,9-12H2,1H3,(H,23,26)
InChIKeyNUVJIPZHQNHWJZ-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.28
Rot. Bonds4

About 4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one

4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one (PubChem CID 59651877) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one
PubChem CID59651877
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one
SMILESCc1onc2c(=O)[nH]nc(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)c12
InChIInChI=1S/C21H24N4O3/c1-13-18-19(22-23-21(26)20(18)24-28-13)14-5-7-16(8-6-14)27-17-9-11-25(12-10-17)15-3-2-4-15/h5-8,15,17H,2-4,9-12H2,1H3,(H,23,26)
InChIKeyNUVJIPZHQNHWJZ-UHFFFAOYSA-N
XLogP3.28
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[(3R)-1-cyclobutylpyrrolidin-3-yl]oxyphenyl]-1H-pyridazin-6-one
CID 24993806
2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-7H-pyrido[3,4-d]pyrimidine-4,8-dione
CID 67243853
6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4,5-dihydro-2H-pyridin-3-one
CID 58522853
3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-fluoro-2-methylpyridine
CID 68789971
4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]benzonitrile
CID 143692391
1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-4-one
CID 66784665
4-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-propan-2-ylpyridin-2-one
CID 11710659
3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5-methylquinazolin-4-one
CID 172752765
3-chloro-4-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-(1-fluoroethyl)pyridin-2-one
CID 59830596
3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one
CID 11501983
5-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-methyl-2-pyridin-2-ylpyridazin-3-one
CID 24996645
(2R,3R)-2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-8-methoxy-3-methyl-2,3-dihydro-1,4λ6-benzoxathiine 4,4-dioxide
CID 67276770

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one (CID 59651877) is 4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one is Cc1onc2c(=O)[nH]nc(-c3ccc(OC4CCN(C5CCC5)CC4)cc3)c12.
What is the InChIKey of 4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The InChIKey is NUVJIPZHQNHWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-13-18-19(22-23-21(26)20(18)24-28-13)14-5-7-16(8-6-14)27-17-9-11-25(12-10-17)15-3-2-4-15/h5-8,15,17H,2-4,9-12H2,1H3,(H,23,26).
What are the key properties of 4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one?
4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one has a molecular weight of 380.45 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 59651877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).