1-(1,2-benzoxazol-3-yl)-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]methanesulfonamide

C20H25N5O3S — CID 126917857

IUPAC1-(1,2-benzoxazol-3-yl)-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]methanesulfonamide
SMILESCC(C)(C)c1ccc(N2CC(CNS(=O)(=O)Cc3noc4ccccc34)C2)nn1
InChIInChI=1S/C20H25N5O3S/c1-20(2,3)18-8-9-19(23-22-18)25-11-14(12-25)10-21-29(26,27)13-16-15-6-4-5-7-17(15)28-24-16/h4-9,14,21H,10-13H2,1-3H3
InChIKeyMOJPKEXOHDGBPL-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.47
Rot. Bonds6

About 1-(1,2-benzoxazol-3-yl)-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]methanesulfonamide

1-(1,2-benzoxazol-3-yl)-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]methanesulfonamide (PubChem CID 126917857) has the molecular formula C20H25N5O3S and a molecular weight of 415.52 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-yl)-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-yl)-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]methanesulfonamide
PubChem CID126917857
Molecular FormulaC20H25N5O3S
Molecular Weight415.52 g/mol
Exact Mass415.17
IUPAC Name1-(1,2-benzoxazol-3-yl)-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]methanesulfonamide
SMILESCC(C)(C)c1ccc(N2CC(CNS(=O)(=O)Cc3noc4ccccc34)C2)nn1
InChIInChI=1S/C20H25N5O3S/c1-20(2,3)18-8-9-19(23-22-18)25-11-14(12-25)10-21-29(26,27)13-16-15-6-4-5-7-17(15)28-24-16/h4-9,14,21H,10-13H2,1-3H3
InChIKeyMOJPKEXOHDGBPL-UHFFFAOYSA-N
XLogP2.47
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(1,2-benzoxazol-3-yl)-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,2-benzoxazol-3-yl)-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]acetamide
CID 126917734
1-(1,2-benzoxazol-3-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)methanesulfonamide
CID 128967815
1-(1,2-benzoxazol-3-yl)-N-ethylmethanesulfonamide;ethane
CID 144673526
1-(1,2-benzoxazol-3-yl)-N-butylmethanesulfonamide
CID 90624393
1-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 126917911
1-(1,2-benzoxazol-3-yl)-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]methanesulfonamide
CID 129338694
1-(1,2-benzoxazol-3-yl)-N-(4-methylsulfonylphenyl)methanesulfonamide
CID 90624669
2-(1,2-benzoxazol-3-yl)-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]acetamide
CID 126919957
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 126918000
1-(1,2-benzoxazol-3-yl)-N-(4-methylphenyl)methanesulfonamide
CID 90624521
1-(1,2-benzoxazol-3-yl)-N-(4-methylpiperazin-1-yl)methanesulfonamide
CID 90624542
1,2-benzoxazol-3-ylmethylsulfonylurea
CID 12507017

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]methanesulfonamide (CID 126917857) is 1-(1,2-benzoxazol-3-yl)-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(1,2-benzoxazol-3-yl)-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-(1,2-benzoxazol-3-yl)-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]methanesulfonamide is CC(C)(C)c1ccc(N2CC(CNS(=O)(=O)Cc3noc4ccccc34)C2)nn1.
What is the InChIKey of 1-(1,2-benzoxazol-3-yl)-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]methanesulfonamide?
The InChIKey is MOJPKEXOHDGBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3S/c1-20(2,3)18-8-9-19(23-22-18)25-11-14(12-25)10-21-29(26,27)13-16-15-6-4-5-7-17(15)28-24-16/h4-9,14,21H,10-13H2,1-3H3.
What are the key properties of 1-(1,2-benzoxazol-3-yl)-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]methanesulfonamide?
1-(1,2-benzoxazol-3-yl)-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]methanesulfonamide has a molecular weight of 415.52 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 1-(1,2-benzoxazol-3-yl)-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 126917857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).