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

C25H26N4O4 — CID 92595640

IUPAC[(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(1,2,3-trimethylindol-5-yl)methanone
SMILESCOc1ccc(-c2noc([C@H]3CN(C(=O)c4ccc5c(c4)c(C)c(C)n5C)CCO3)n2)cc1
InChIInChI=1S/C25H26N4O4/c1-15-16(2)28(3)21-10-7-18(13-20(15)21)25(30)29-11-12-32-22(14-29)24-26-23(27-33-24)17-5-8-19(31-4)9-6-17/h5-10,13,22H,11-12,14H2,1-4H3/t22-/m1/s1
InChIKeyRLYRBLUISLBIMO-JOCHJYFZSA-N
MW446.51 g/mol
LogP4.07
Rot. Bonds4

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

[(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(1,2,3-trimethylindol-5-yl)methanone (PubChem CID 92595640) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is [(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(1,2,3-trimethylindol-5-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(1,2,3-trimethylindol-5-yl)methanone
PubChem CID92595640
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name[(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(1,2,3-trimethylindol-5-yl)methanone
SMILESCOc1ccc(-c2noc([C@H]3CN(C(=O)c4ccc5c(c4)c(C)c(C)n5C)CCO3)n2)cc1
InChIInChI=1S/C25H26N4O4/c1-15-16(2)28(3)21-10-7-18(13-20(15)21)25(30)29-11-12-32-22(14-29)24-26-23(27-33-24)17-5-8-19(31-4)9-6-17/h5-10,13,22H,11-12,14H2,1-4H3/t22-/m1/s1
InChIKeyRLYRBLUISLBIMO-JOCHJYFZSA-N
XLogP4.07
TPSA82.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(1,2,3-trimethylindol-5-yl)methanone
CID 110242901
(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-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone
CID 92604247
[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 3590042
(3,4-dimethoxyphenyl)-[(3R)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1456302
[(3R)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 1456239
2-[4-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]morpholin-2-yl]acetic acid
CID 119248844
(2S)-4-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]morpholine-2-carboxylic acid
CID 125120774
[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 91946497
[(3R)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-phenylphenyl)methanone
CID 1456159
tert-butyl 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate
CID 66618582
[3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 3975771

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(1,2,3-trimethylindol-5-yl)methanone?
The IUPAC name of [(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(1,2,3-trimethylindol-5-yl)methanone (CID 92595640) is [(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(1,2,3-trimethylindol-5-yl)methanone.
What is the SMILES notation for [(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(1,2,3-trimethylindol-5-yl)methanone?
The canonical SMILES for [(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(1,2,3-trimethylindol-5-yl)methanone is COc1ccc(-c2noc([C@H]3CN(C(=O)c4ccc5c(c4)c(C)c(C)n5C)CCO3)n2)cc1.
What is the InChIKey of [(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(1,2,3-trimethylindol-5-yl)methanone?
The InChIKey is RLYRBLUISLBIMO-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-15-16(2)28(3)21-10-7-18(13-20(15)21)25(30)29-11-12-32-22(14-29)24-26-23(27-33-24)17-5-8-19(31-4)9-6-17/h5-10,13,22H,11-12,14H2,1-4H3/t22-/m1/s1.
What are the key properties of [(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(1,2,3-trimethylindol-5-yl)methanone?
[(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(1,2,3-trimethylindol-5-yl)methanone has a molecular weight of 446.51 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(1,2,3-trimethylindol-5-yl)methanone is sourced from PubChem (CID 92595640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).