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

C17H22N4O2 — CID 75375177

IUPACN,N-dimethyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-5-carboxamide
SMILESCCCc1noc(CN2CCc3cc(C(=O)N(C)C)ccc32)n1
InChIInChI=1S/C17H22N4O2/c1-4-5-15-18-16(23-19-15)11-21-9-8-12-10-13(6-7-14(12)21)17(22)20(2)3/h6-7,10H,4-5,8-9,11H2,1-3H3
InChIKeyZBQFBHAAOLLJGY-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.29
Rot. Bonds5

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

N,N-dimethyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-5-carboxamide (PubChem CID 75375177) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N,N-dimethyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-5-carboxamide
PubChem CID75375177
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN,N-dimethyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-5-carboxamide
SMILESCCCc1noc(CN2CCc3cc(C(=O)N(C)C)ccc32)n1
InChIInChI=1S/C17H22N4O2/c1-4-5-15-18-16(23-19-15)11-21-9-8-12-10-13(6-7-14(12)21)17(22)20(2)3/h6-7,10H,4-5,8-9,11H2,1-3H3
InChIKeyZBQFBHAAOLLJGY-UHFFFAOYSA-N
XLogP2.29
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N,N-dimethyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-5-carboxamide (CID 75375177) is N,N-dimethyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-5-carboxamide is CCCc1noc(CN2CCc3cc(C(=O)N(C)C)ccc32)n1.
What is the InChIKey of N,N-dimethyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is ZBQFBHAAOLLJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-4-5-15-18-16(23-19-15)11-21-9-8-12-10-13(6-7-14(12)21)17(22)20(2)3/h6-7,10H,4-5,8-9,11H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-5-carboxamide?
N,N-dimethyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 75375177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).