N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide

C22H25N5O — CID 110984880

IUPACN-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
SMILESCCc1noc(-c2ccc(CCN/C(=N\C)N3CCc4ccccc43)cc2)n1
InChIInChI=1S/C22H25N5O/c1-3-20-25-21(28-26-20)18-10-8-16(9-11-18)12-14-24-22(23-2)27-15-13-17-6-4-5-7-19(17)27/h4-11H,3,12-15H2,1-2H3,(H,23,24)
InChIKeyRBFBIDSIXRLCBY-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.48
Rot. Bonds5

About N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide

N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide (PubChem CID 110984880) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide.

Molecular Properties

Compound NameN-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
PubChem CID110984880
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
SMILESCCc1noc(-c2ccc(CCN/C(=N\C)N3CCc4ccccc43)cc2)n1
InChIInChI=1S/C22H25N5O/c1-3-20-25-21(28-26-20)18-10-8-16(9-11-18)12-14-24-22(23-2)27-15-13-17-6-4-5-7-19(17)27/h4-11H,3,12-15H2,1-2H3,(H,23,24)
InChIKeyRBFBIDSIXRLCBY-UHFFFAOYSA-N
XLogP3.48
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111211357
N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425941
1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111227458
1-butyl-3-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methylguanidine
CID 111150132
1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111100354
methyl 1-[N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111254112
N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide
CID 111526167
1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methyl-3-pentylguanidine;hydroiodide
CID 111128824
1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methyl-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111909737
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 111495333
N'-methyl-N-pentyl-2,3-dihydroindole-1-carboximidamide
CID 110984242
1-(cyclopropylmethyl)-3-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methylguanidine
CID 111868178

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide?
The IUPAC name of N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide (CID 110984880) is N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide.
What is the SMILES notation for N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide?
The canonical SMILES for N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide is CCc1noc(-c2ccc(CCN/C(=N\C)N3CCc4ccccc43)cc2)n1.
What is the InChIKey of N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide?
The InChIKey is RBFBIDSIXRLCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-3-20-25-21(28-26-20)18-10-8-16(9-11-18)12-14-24-22(23-2)27-15-13-17-6-4-5-7-19(17)27/h4-11H,3,12-15H2,1-2H3,(H,23,24).
What are the key properties of N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide?
N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide has a molecular weight of 375.48 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide is sourced from PubChem (CID 110984880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).