N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide

C20H25N5O4 — CID 30576277

IUPACN-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide
SMILESCN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccon3)N3CCOCC3)ccc21
InChIInChI=1S/C20H25N5O4/c1-24-6-4-15-12-14(2-3-16(15)24)17(25-7-10-28-11-8-25)13-21-19(26)20(27)22-18-5-9-29-23-18/h2-3,5,9,12,17H,4,6-8,10-11,13H2,1H3,(H,21,26)(H,22,23,27)/t17-/m1/s1
InChIKeyBWAJSMALQVEFFG-QGZVFWFLSA-N
MW399.45 g/mol
LogP0.80
Rot. Bonds5

About N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide

N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide (PubChem CID 30576277) has the molecular formula C20H25N5O4 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide.

Molecular Properties

Compound NameN-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide
PubChem CID30576277
Molecular FormulaC20H25N5O4
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC NameN-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide
SMILESCN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccon3)N3CCOCC3)ccc21
InChIInChI=1S/C20H25N5O4/c1-24-6-4-15-12-14(2-3-16(15)24)17(25-7-10-28-11-8-25)13-21-19(26)20(27)22-18-5-9-29-23-18/h2-3,5,9,12,17H,4,6-8,10-11,13H2,1H3,(H,21,26)(H,22,23,27)/t17-/m1/s1
InChIKeyBWAJSMALQVEFFG-QGZVFWFLSA-N
XLogP0.80
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]-N'-(1,2-oxazol-3-yl)oxamide
CID 30577732
N'-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-(2-methylpropyl)oxamide
CID 30576488
N-[(2R)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N'-(1,2-oxazol-3-yl)oxamide
CID 40890372
N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 51640949
N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide
CID 30576217
N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-(2-phenylethyl)oxamide
CID 51640937
N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-pyrrolidin-1-ylethyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 30576169
N'-(3-chloro-2-methylphenyl)-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]oxamide
CID 30576494
N'-(2,4-dimethoxyphenyl)-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]oxamide
CID 30576321
N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 18571899
4-methyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 30575734
N-ethyl-N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 30576915

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide?
The IUPAC name of N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide (CID 30576277) is N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide.
What is the SMILES notation for N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide?
The canonical SMILES for N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide is CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccon3)N3CCOCC3)ccc21.
What is the InChIKey of N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide?
The InChIKey is BWAJSMALQVEFFG-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25N5O4/c1-24-6-4-15-12-14(2-3-16(15)24)17(25-7-10-28-11-8-25)13-21-19(26)20(27)22-18-5-9-29-23-18/h2-3,5,9,12,17H,4,6-8,10-11,13H2,1H3,(H,21,26)(H,22,23,27)/t17-/m1/s1.
What are the key properties of N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide?
N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide has a molecular weight of 399.45 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide is sourced from PubChem (CID 30576277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).