N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydroindole-1-carboxamide

C17H22N4O2 — CID 52826046

IUPACN-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydroindole-1-carboxamide
SMILESCC(C)c1noc(CCCNC(=O)N2CCc3ccccc32)n1
InChIInChI=1S/C17H22N4O2/c1-12(2)16-19-15(23-20-16)8-5-10-18-17(22)21-11-9-13-6-3-4-7-14(13)21/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,18,22)
InChIKeyPUTITSBCWIAKNF-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.90
Rot. Bonds5

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

N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydroindole-1-carboxamide (PubChem CID 52826046) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydroindole-1-carboxamide
PubChem CID52826046
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydroindole-1-carboxamide
SMILESCC(C)c1noc(CCCNC(=O)N2CCc3ccccc32)n1
InChIInChI=1S/C17H22N4O2/c1-12(2)16-19-15(23-20-16)8-5-10-18-17(22)21-11-9-13-6-3-4-7-14(13)21/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,18,22)
InChIKeyPUTITSBCWIAKNF-UHFFFAOYSA-N
XLogP2.90
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydroindole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide
CID 52826047
N-[3-(4-methoxyphenyl)propyl]-2,3-dihydroindole-1-carboxamide
CID 60543023
4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]butanamide
CID 56565118
3-hydroxy-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide
CID 110911744
(E)-3-phenyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]prop-2-enamide
CID 49033078
methyl 5-(2,3-dihydroindole-1-carbonylamino)pentanoate
CID 60591298
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(R)-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfinyl]ethanone
CID 95329237
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(S)-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfinyl]ethanone
CID 95329238
N-ethyl-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 110946433
(3R,4S)-3-methoxy-4-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboxamide
CID 99857295
N-(2-methoxyethyl)-2,3-dihydroindole-1-carboxamide
CID 47193672
N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108990483

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydroindole-1-carboxamide (CID 52826046) is N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydroindole-1-carboxamide is CC(C)c1noc(CCCNC(=O)N2CCc3ccccc32)n1.
What is the InChIKey of N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is PUTITSBCWIAKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12(2)16-19-15(23-20-16)8-5-10-18-17(22)21-11-9-13-6-3-4-7-14(13)21/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,18,22).
What are the key properties of N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydroindole-1-carboxamide?
N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 52826046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).