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

C25H26N4O3 — CID 110242901

IUPAC[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(1,2,3-trimethylindol-5-yl)methanone
SMILESCc1ccccc1-c1noc(C2CN(C(=O)c3ccc4c(c3)c(C)c(C)n4C)CCO2)n1
InChIInChI=1S/C25H26N4O3/c1-15-7-5-6-8-19(15)23-26-24(32-27-23)22-14-29(11-12-31-22)25(30)18-9-10-21-20(13-18)16(2)17(3)28(21)4/h5-10,13,22H,11-12,14H2,1-4H3
InChIKeyCNHIKQQMUNVLTE-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.37
Rot. Bonds3

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

[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(1,2,3-trimethylindol-5-yl)methanone (PubChem CID 110242901) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is [2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(1,2,3-trimethylindol-5-yl)methanone.

Molecular Properties

Compound Name[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(1,2,3-trimethylindol-5-yl)methanone
PubChem CID110242901
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(1,2,3-trimethylindol-5-yl)methanone
SMILESCc1ccccc1-c1noc(C2CN(C(=O)c3ccc4c(c3)c(C)c(C)n4C)CCO2)n1
InChIInChI=1S/C25H26N4O3/c1-15-7-5-6-8-19(15)23-26-24(32-27-23)22-14-29(11-12-31-22)25(30)18-9-10-21-20(13-18)16(2)17(3)28(21)4/h5-10,13,22H,11-12,14H2,1-4H3
InChIKeyCNHIKQQMUNVLTE-UHFFFAOYSA-N
XLogP4.37
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(1,2,3-trimethylindol-5-yl)methanone
CID 92595640
(2S)-4-(benzenesulfonyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 92562252
2-[4-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]morpholin-2-yl]acetic acid
CID 119248844
[(2R)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone
CID 92604247
(2S)-4-[1-(2-methoxyethyl)-2,3-dimethylindole-5-carbonyl]morpholine-2-carboxylic acid
CID 125120774
2-[(2R)-4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)morpholin-2-yl]acetic acid
CID 97324649
1,6-dimethyl-3-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine-4-carbonyl]pyridin-2-one
CID 110242925
[(2R)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(1,2-dimethylindol-3-yl)methanone
CID 124989987
(1-methylindol-6-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 51972804
[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 3226119
(2,3-dimethyl-1H-indol-5-yl)-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129326330
(4,5-dimethylthiophen-3-yl)-[(2S)-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone
CID 92598338

Frequently Asked Questions

What is the IUPAC name of [2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(1,2,3-trimethylindol-5-yl)methanone?
The IUPAC name of [2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(1,2,3-trimethylindol-5-yl)methanone (CID 110242901) is [2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(1,2,3-trimethylindol-5-yl)methanone.
What is the SMILES notation for [2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(1,2,3-trimethylindol-5-yl)methanone?
The canonical SMILES for [2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(1,2,3-trimethylindol-5-yl)methanone is Cc1ccccc1-c1noc(C2CN(C(=O)c3ccc4c(c3)c(C)c(C)n4C)CCO2)n1.
What is the InChIKey of [2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(1,2,3-trimethylindol-5-yl)methanone?
The InChIKey is CNHIKQQMUNVLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-15-7-5-6-8-19(15)23-26-24(32-27-23)22-14-29(11-12-31-22)25(30)18-9-10-21-20(13-18)16(2)17(3)28(21)4/h5-10,13,22H,11-12,14H2,1-4H3.
What are the key properties of [2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(1,2,3-trimethylindol-5-yl)methanone?
[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(1,2,3-trimethylindol-5-yl)methanone has a molecular weight of 430.51 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(1,2,3-trimethylindol-5-yl)methanone is sourced from PubChem (CID 110242901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).