6-cyclopropyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one

C20H28N4O2 — CID 126865403

IUPAC6-cyclopropyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
SMILESCC(C)c1ocnc1CN1CCC(Cn2nc(C3CC3)ccc2=O)CC1
InChIInChI=1S/C20H28N4O2/c1-14(2)20-18(21-13-26-20)12-23-9-7-15(8-10-23)11-24-19(25)6-5-17(22-24)16-3-4-16/h5-6,13-16H,3-4,7-12H2,1-2H3
InChIKeyPYILHHUHPGBXFN-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.14
Rot. Bonds6

About 6-cyclopropyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one

6-cyclopropyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 126865403) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 6-cyclopropyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID126865403
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name6-cyclopropyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
SMILESCC(C)c1ocnc1CN1CCC(Cn2nc(C3CC3)ccc2=O)CC1
InChIInChI=1S/C20H28N4O2/c1-14(2)20-18(21-13-26-20)12-23-9-7-15(8-10-23)11-24-19(25)6-5-17(22-24)16-3-4-16/h5-6,13-16H,3-4,7-12H2,1-2H3
InChIKeyPYILHHUHPGBXFN-UHFFFAOYSA-N
XLogP3.14
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-cyclopropyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

CID 126943620
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CID 171994193
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CID 171999615
CID 171999615
CID 172000018
CID 172000018
CID 172881310
CID 172881310
CID 126862480
CID 126862480
CID 126862481
CID 126862481
CID 126862948
CID 126862948
CID 126862949
CID 126862949
CID 126864084
CID 126864084
CID 126864085
CID 126864085
CID 126864944
CID 126864944

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one (CID 126865403) is 6-cyclopropyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one is CC(C)c1ocnc1CN1CCC(Cn2nc(C3CC3)ccc2=O)CC1.
What is the InChIKey of 6-cyclopropyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is PYILHHUHPGBXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-14(2)20-18(21-13-26-20)12-23-9-7-15(8-10-23)11-24-19(25)6-5-17(22-24)16-3-4-16/h5-6,13-16H,3-4,7-12H2,1-2H3.
What are the key properties of 6-cyclopropyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
6-cyclopropyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 356.47 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126865403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).