2-(1,2-benzoxazol-3-yl)-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]acetamide

C20H23N5O3 — CID 126930631

IUPAC2-(1,2-benzoxazol-3-yl)-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]acetamide
SMILESCn1nc(N2CCCCC2CNC(=O)Cc2noc3ccccc23)ccc1=O
InChIInChI=1S/C20H23N5O3/c1-24-20(27)10-9-18(22-24)25-11-5-4-6-14(25)13-21-19(26)12-16-15-7-2-3-8-17(15)28-23-16/h2-3,7-10,14H,4-6,11-13H2,1H3,(H,21,26)
InChIKeyJPUPODSBBULGFX-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.64
Rot. Bonds5

About 2-(1,2-benzoxazol-3-yl)-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]acetamide

2-(1,2-benzoxazol-3-yl)-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]acetamide (PubChem CID 126930631) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]acetamide
PubChem CID126930631
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]acetamide
SMILESCn1nc(N2CCCCC2CNC(=O)Cc2noc3ccccc23)ccc1=O
InChIInChI=1S/C20H23N5O3/c1-24-20(27)10-9-18(22-24)25-11-5-4-6-14(25)13-21-19(26)12-16-15-7-2-3-8-17(15)28-23-16/h2-3,7-10,14H,4-6,11-13H2,1H3,(H,21,26)
InChIKeyJPUPODSBBULGFX-UHFFFAOYSA-N
XLogP1.64
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]acetamide (CID 126930631) is 2-(1,2-benzoxazol-3-yl)-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]acetamide is Cn1nc(N2CCCCC2CNC(=O)Cc2noc3ccccc23)ccc1=O.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]acetamide?
The InChIKey is JPUPODSBBULGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-24-20(27)10-9-18(22-24)25-11-5-4-6-14(25)13-21-19(26)12-16-15-7-2-3-8-17(15)28-23-16/h2-3,7-10,14H,4-6,11-13H2,1H3,(H,21,26).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]acetamide has a molecular weight of 381.44 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]acetamide is sourced from PubChem (CID 126930631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).