4-[1-[[(3R)-oxan-3-yl]methyl]imidazol-2-yl]-2,1,3-benzoxadiazole

C15H16N4O2 — CID 95554101

IUPAC4-[1-[[(3R)-oxan-3-yl]methyl]imidazol-2-yl]-2,1,3-benzoxadiazole
SMILESc1cc(-c2nccn2C[C@H]2CCCOC2)c2nonc2c1
InChIInChI=1S/C15H16N4O2/c1-4-12(14-13(5-1)17-21-18-14)15-16-6-7-19(15)9-11-3-2-8-20-10-11/h1,4-7,11H,2-3,8-10H2/t11-/m1/s1
InChIKeyCKXGBLDMNKYCIY-LLVKDONJSA-N
MW284.32 g/mol
LogP2.51
Rot. Bonds3

About 4-[1-[[(3R)-oxan-3-yl]methyl]imidazol-2-yl]-2,1,3-benzoxadiazole

4-[1-[[(3R)-oxan-3-yl]methyl]imidazol-2-yl]-2,1,3-benzoxadiazole (PubChem CID 95554101) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-[1-[[(3R)-oxan-3-yl]methyl]imidazol-2-yl]-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name4-[1-[[(3R)-oxan-3-yl]methyl]imidazol-2-yl]-2,1,3-benzoxadiazole
PubChem CID95554101
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name4-[1-[[(3R)-oxan-3-yl]methyl]imidazol-2-yl]-2,1,3-benzoxadiazole
SMILESc1cc(-c2nccn2C[C@H]2CCCOC2)c2nonc2c1
InChIInChI=1S/C15H16N4O2/c1-4-12(14-13(5-1)17-21-18-14)15-16-6-7-19(15)9-11-3-2-8-20-10-11/h1,4-7,11H,2-3,8-10H2/t11-/m1/s1
InChIKeyCKXGBLDMNKYCIY-LLVKDONJSA-N
XLogP2.51
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxy-3,5-dimethylphenyl)-1-(oxan-3-ylmethyl)imidazole
CID 56876111
4-[1-(3-pyridin-3-ylpropyl)imidazol-2-yl]-2,1,3-benzoxadiazole
CID 56917793
4-[1-[3-(4-methyl-1,3-thiazol-5-yl)propyl]imidazol-2-yl]-2,1,3-benzoxadiazole
CID 56866493
2-(5-methylthiophen-2-yl)-1-(oxolan-3-ylmethyl)imidazole
CID 155912420
1-(cyclopentylmethyl)-2-(2,6-dichlorophenyl)imidazole
CID 165428017
1-(1,4-dioxan-2-ylmethyl)-2-(2-fluoro-3-methylphenyl)imidazole
CID 155911147
4-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridine
CID 155912859
1-(cyclobutylmethyl)-2-thiophen-2-ylimidazole
CID 115917906
cis-(1R,3S)-3-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]cyclohexan-1-amine
CID 154568600
3-methyl-1-(oxan-3-ylmethyl)pyrazole
CID 130610539
4-[1-(cyclobutylmethyl)imidazol-2-yl]aniline
CID 65458282
3-[[1-(oxan-3-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942798

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[(3R)-oxan-3-yl]methyl]imidazol-2-yl]-2,1,3-benzoxadiazole?
The IUPAC name of 4-[1-[[(3R)-oxan-3-yl]methyl]imidazol-2-yl]-2,1,3-benzoxadiazole (CID 95554101) is 4-[1-[[(3R)-oxan-3-yl]methyl]imidazol-2-yl]-2,1,3-benzoxadiazole.
What is the SMILES notation for 4-[1-[[(3R)-oxan-3-yl]methyl]imidazol-2-yl]-2,1,3-benzoxadiazole?
The canonical SMILES for 4-[1-[[(3R)-oxan-3-yl]methyl]imidazol-2-yl]-2,1,3-benzoxadiazole is c1cc(-c2nccn2C[C@H]2CCCOC2)c2nonc2c1.
What is the InChIKey of 4-[1-[[(3R)-oxan-3-yl]methyl]imidazol-2-yl]-2,1,3-benzoxadiazole?
The InChIKey is CKXGBLDMNKYCIY-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-4-12(14-13(5-1)17-21-18-14)15-16-6-7-19(15)9-11-3-2-8-20-10-11/h1,4-7,11H,2-3,8-10H2/t11-/m1/s1.
What are the key properties of 4-[1-[[(3R)-oxan-3-yl]methyl]imidazol-2-yl]-2,1,3-benzoxadiazole?
4-[1-[[(3R)-oxan-3-yl]methyl]imidazol-2-yl]-2,1,3-benzoxadiazole has a molecular weight of 284.32 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[(3R)-oxan-3-yl]methyl]imidazol-2-yl]-2,1,3-benzoxadiazole is sourced from PubChem (CID 95554101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).