(3R)-3-[[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroisoindol-1-one

C16H13N5O2 — CID 97119830

IUPAC(3R)-3-[[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroisoindol-1-one
SMILESCc1ccc(-c2noc(C[C@H]3NC(=O)c4ccccc43)n2)nn1
InChIInChI=1S/C16H13N5O2/c1-9-6-7-12(20-19-9)15-18-14(23-21-15)8-13-10-4-2-3-5-11(10)16(22)17-13/h2-7,13H,8H2,1H3,(H,17,22)/t13-/m1/s1
InChIKeyVQLLOLYOHXJMGT-CYBMUJFWSA-N
MW307.31 g/mol
LogP1.86
Rot. Bonds3

About (3R)-3-[[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroisoindol-1-one

(3R)-3-[[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroisoindol-1-one (PubChem CID 97119830) has the molecular formula C16H13N5O2 and a molecular weight of 307.31 g/mol. Its IUPAC name is (3R)-3-[[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name(3R)-3-[[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroisoindol-1-one
PubChem CID97119830
Molecular FormulaC16H13N5O2
Molecular Weight307.31 g/mol
Exact Mass307.11
IUPAC Name(3R)-3-[[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroisoindol-1-one
SMILESCc1ccc(-c2noc(C[C@H]3NC(=O)c4ccccc43)n2)nn1
InChIInChI=1S/C16H13N5O2/c1-9-6-7-12(20-19-9)15-18-14(23-21-15)8-13-10-4-2-3-5-11(10)16(22)17-13/h2-7,13H,8H2,1H3,(H,17,22)/t13-/m1/s1
InChIKeyVQLLOLYOHXJMGT-CYBMUJFWSA-N
XLogP1.86
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-3-[[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroisoindol-1-one with MolForge

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Related Compounds

3-[[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroisoindol-1-one
CID 45182687
(3R)-3-[[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroisoindol-1-one
CID 95225307
5-[(2S)-2-methylbutyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
CID 97121088
[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methylurea
CID 70769894
3-(quinolin-2-ylmethyl)-2,3-dihydroisoindol-1-one
CID 130474109
3-methyl-5-[[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione
CID 72863527
5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)ethyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
CID 70753725
3-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2,3-dihydroisoindol-1-one
CID 176906651
3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2,5-dione
CID 136572226
3-(6-methyl-2-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 79608887
3-(6-methoxypyridazin-3-yl)-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 103372840
1-(azepan-1-yl)-3-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 70707902

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroisoindol-1-one?
The IUPAC name of (3R)-3-[[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroisoindol-1-one (CID 97119830) is (3R)-3-[[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for (3R)-3-[[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroisoindol-1-one?
The canonical SMILES for (3R)-3-[[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroisoindol-1-one is Cc1ccc(-c2noc(C[C@H]3NC(=O)c4ccccc43)n2)nn1.
What is the InChIKey of (3R)-3-[[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroisoindol-1-one?
The InChIKey is VQLLOLYOHXJMGT-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H13N5O2/c1-9-6-7-12(20-19-9)15-18-14(23-21-15)8-13-10-4-2-3-5-11(10)16(22)17-13/h2-7,13H,8H2,1H3,(H,17,22)/t13-/m1/s1.
What are the key properties of (3R)-3-[[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroisoindol-1-one?
(3R)-3-[[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroisoindol-1-one has a molecular weight of 307.31 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 97119830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).