N-(2-methoxyethyl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindole-1-carboxamide

C17H22N4O3 — CID 110876591

IUPACN-(2-methoxyethyl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindole-1-carboxamide
SMILESCOCCNC(=O)N1c2ccccc2CC1c1noc(C(C)C)n1
InChIInChI=1S/C17H22N4O3/c1-11(2)16-19-15(20-24-16)14-10-12-6-4-5-7-13(12)21(14)17(22)18-8-9-23-3/h4-7,11,14H,8-10H2,1-3H3,(H,18,22)
InChIKeyHJKDJMIVYYMRMJ-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.65
Rot. Bonds5

About N-(2-methoxyethyl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindole-1-carboxamide

N-(2-methoxyethyl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindole-1-carboxamide (PubChem CID 110876591) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindole-1-carboxamide
PubChem CID110876591
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-(2-methoxyethyl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindole-1-carboxamide
SMILESCOCCNC(=O)N1c2ccccc2CC1c1noc(C(C)C)n1
InChIInChI=1S/C17H22N4O3/c1-11(2)16-19-15(20-24-16)14-10-12-6-4-5-7-13(12)21(14)17(22)18-8-9-23-3/h4-7,11,14H,8-10H2,1-3H3,(H,18,22)
InChIKeyHJKDJMIVYYMRMJ-UHFFFAOYSA-N
XLogP2.65
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]ethanone
CID 110876590
3-(3,5-dimethylpyrazol-1-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]propan-1-one
CID 91924529
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2-methylpropyl)-2,3-dihydroindole-1-carboxamide
CID 91915633
N-(2-methylpropyl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2,3-dihydroindole-1-carboxamide
CID 110875878
2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-methylbutyl)-2,3-dihydroindole-1-carboxamide
CID 91913639
N-(3,5-dimethoxyphenyl)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydroindole-1-carboxamide
CID 91915642
N-(2-methoxyethyl)-2,3-dihydroindole-1-carboxamide
CID 47193672
(2S)-1-(2-ethoxyethylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 61201079
N-(3-methoxyphenyl)-2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindole-1-carboxamide
CID 91924552
N-(2-methoxyethyl)-2-[3-(2-methyl-2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]acetamide
CID 53121681
3-(2-methoxyethylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 109015312
[5-(methoxymethyl)furan-2-yl]-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 97345500

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindole-1-carboxamide (CID 110876591) is N-(2-methoxyethyl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindole-1-carboxamide is COCCNC(=O)N1c2ccccc2CC1c1noc(C(C)C)n1.
What is the InChIKey of N-(2-methoxyethyl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is HJKDJMIVYYMRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11(2)16-19-15(20-24-16)14-10-12-6-4-5-7-13(12)21(14)17(22)18-8-9-23-3/h4-7,11,14H,8-10H2,1-3H3,(H,18,22).
What are the key properties of N-(2-methoxyethyl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindole-1-carboxamide?
N-(2-methoxyethyl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 110876591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).