2-(1,2-benzoxazol-3-yl)-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]acetamide

C22H20N6O2 — CID 126919957

IUPAC2-(1,2-benzoxazol-3-yl)-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]acetamide
SMILESO=C(Cc1noc2ccccc12)NCC1CN(c2ccc(-c3ccncc3)nn2)C1
InChIInChI=1S/C22H20N6O2/c29-22(11-19-17-3-1-2-4-20(17)30-27-19)24-12-15-13-28(14-15)21-6-5-18(25-26-21)16-7-9-23-10-8-16/h1-10,15H,11-14H2,(H,24,29)
InChIKeyUVAWBIKLGHOBTC-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.47
Rot. Bonds6

About 2-(1,2-benzoxazol-3-yl)-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]acetamide

2-(1,2-benzoxazol-3-yl)-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]acetamide (PubChem CID 126919957) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]acetamide
PubChem CID126919957
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]acetamide
SMILESO=C(Cc1noc2ccccc12)NCC1CN(c2ccc(-c3ccncc3)nn2)C1
InChIInChI=1S/C22H20N6O2/c29-22(11-19-17-3-1-2-4-20(17)30-27-19)24-12-15-13-28(14-15)21-6-5-18(25-26-21)16-7-9-23-10-8-16/h1-10,15H,11-14H2,(H,24,29)
InChIKeyUVAWBIKLGHOBTC-UHFFFAOYSA-N
XLogP2.47
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(1,2-benzoxazol-3-yl)-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]acetamide with MolForge

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]acetamide
CID 126917734
2-(1,2-benzoxazol-3-yl)-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 121058265
2-(2-methyl-1,3-thiazol-5-yl)-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]acetamide
CID 126919980
N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-pyrazole-4-carboxamide
CID 126919969
2,4-dimethyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-thiazole-5-carboxamide
CID 126919925
N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]pyrimidin-2-amine
CID 126920018
1-methyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]piperidine-3-carboxamide
CID 126919959
2-methyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide
CID 126919987
2-(1,2-benzoxazol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46612175
1-(1,2-benzoxazol-3-yl)-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]methanesulfonamide
CID 126917857
1-cyclopropyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]ethanamine
CID 126920097
N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]morpholine-4-sulfonamide
CID 126920005

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]acetamide (CID 126919957) is 2-(1,2-benzoxazol-3-yl)-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]acetamide is O=C(Cc1noc2ccccc12)NCC1CN(c2ccc(-c3ccncc3)nn2)C1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]acetamide?
The InChIKey is UVAWBIKLGHOBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c29-22(11-19-17-3-1-2-4-20(17)30-27-19)24-12-15-13-28(14-15)21-6-5-18(25-26-21)16-7-9-23-10-8-16/h1-10,15H,11-14H2,(H,24,29).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]acetamide has a molecular weight of 400.44 g/mol, XLogP of 2.47, 6 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-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]acetamide is sourced from PubChem (CID 126919957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).