[(2R)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone

C22H21N5O4 — CID 92604247

IUPAC[(2R)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone
SMILESCOc1cccc(-c2noc([C@H]3CN(C(=O)c4ccc5nc(C)[nH]c5c4)CCO3)n2)c1
InChIInChI=1S/C22H21N5O4/c1-13-23-17-7-6-15(11-18(17)24-13)22(28)27-8-9-30-19(12-27)21-25-20(26-31-21)14-4-3-5-16(10-14)29-2/h3-7,10-11,19H,8-9,12H2,1-2H3,(H,23,24)/t19-/m1/s1
InChIKeyARSWGCOWDQVTHH-LJQANCHMSA-N
MW419.44 g/mol
LogP3.14
Rot. Bonds4

About [(2R)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone

[(2R)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone (PubChem CID 92604247) has the molecular formula C22H21N5O4 and a molecular weight of 419.44 g/mol. Its IUPAC name is [(2R)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone
PubChem CID92604247
Molecular FormulaC22H21N5O4
Molecular Weight419.44 g/mol
Exact Mass419.16
IUPAC Name[(2R)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone
SMILESCOc1cccc(-c2noc([C@H]3CN(C(=O)c4ccc5nc(C)[nH]c5c4)CCO3)n2)c1
InChIInChI=1S/C22H21N5O4/c1-13-23-17-7-6-15(11-18(17)24-13)22(28)27-8-9-30-19(12-27)21-25-20(26-31-21)14-4-3-5-16(10-14)29-2/h3-7,10-11,19H,8-9,12H2,1-2H3,(H,23,24)/t19-/m1/s1
InChIKeyARSWGCOWDQVTHH-LJQANCHMSA-N
XLogP3.14
TPSA106.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1,3-dihydroisoindol-2-yl)-1-[(2S)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone
CID 92600443
2-(1,3-dihydroisoindol-2-yl)-1-[(2R)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone
CID 92600444
(2-methyl-3H-benzimidazol-5-yl)-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone
CID 110102686
4-methyl-2-[4-(2-methyl-3H-benzimidazole-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 136844301
(3-methoxyphenyl)-[(3R)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1456109
(2,3-dimethyl-1H-indol-4-yl)-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone
CID 110224472
[(2R)-2-(3-aminopyrazin-2-yl)morpholin-4-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone
CID 124975236
[(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(1,2,3-trimethylindol-5-yl)methanone
CID 92595640
[(3R)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 1456111
[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-nitrophenyl)methanone
CID 42760683
(3,5-dimethoxyphenyl)-[(3R)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1456031
[(2R)-2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-methoxyphenyl)methanone
CID 124953671

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone?
The IUPAC name of [(2R)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone (CID 92604247) is [(2R)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone.
What is the SMILES notation for [(2R)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone?
The canonical SMILES for [(2R)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone is COc1cccc(-c2noc([C@H]3CN(C(=O)c4ccc5nc(C)[nH]c5c4)CCO3)n2)c1.
What is the InChIKey of [(2R)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone?
The InChIKey is ARSWGCOWDQVTHH-LJQANCHMSA-N. The full InChI is InChI=1S/C22H21N5O4/c1-13-23-17-7-6-15(11-18(17)24-13)22(28)27-8-9-30-19(12-27)21-25-20(26-31-21)14-4-3-5-16(10-14)29-2/h3-7,10-11,19H,8-9,12H2,1-2H3,(H,23,24)/t19-/m1/s1.
What are the key properties of [(2R)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone?
[(2R)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone has a molecular weight of 419.44 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone is sourced from PubChem (CID 92604247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).