N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine

C16H21N5O — CID 120970887

IUPACN-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCCc1noc(-c2ccc(CCNC3=NCCN3C)cc2)n1
InChIInChI=1S/C16H21N5O/c1-3-14-19-15(22-20-14)13-6-4-12(5-7-13)8-9-17-16-18-10-11-21(16)2/h4-7H,3,8-11H2,1-2H3,(H,17,18)
InChIKeyOZOJTCDVMSVSCJ-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.73
Rot. Bonds5

About N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine

N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 120970887) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
PubChem CID120970887
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCCc1noc(-c2ccc(CCNC3=NCCN3C)cc2)n1
InChIInChI=1S/C16H21N5O/c1-3-14-19-15(22-20-14)13-6-4-12(5-7-13)8-9-17-16-18-10-11-21(16)2/h4-7H,3,8-11H2,1-2H3,(H,17,18)
InChIKeyOZOJTCDVMSVSCJ-UHFFFAOYSA-N
XLogP1.73
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine with MolForge

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Related Compounds

1-methyl-N-[2-(4-methylphenyl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971314
1-methyl-N-(2-pyridin-4-ylethyl)-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971012
N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111211357
1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111100354
1-ethyl-3-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111417332
2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanamine
CID 119123580
1-(cyclopropylmethyl)-3-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methylguanidine
CID 111868178
1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122000522
1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111227458
N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984880
(2S)-2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]propanamide;hydrochloride
CID 119317564
1-butyl-3-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-methylguanidine
CID 111150132

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine (CID 120970887) is N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine is CCc1noc(-c2ccc(CCNC3=NCCN3C)cc2)n1.
What is the InChIKey of N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is OZOJTCDVMSVSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-3-14-19-15(22-20-14)13-6-4-12(5-7-13)8-9-17-16-18-10-11-21(16)2/h4-7H,3,8-11H2,1-2H3,(H,17,18).
What are the key properties of N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine?
N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 299.38 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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]-1-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 120970887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).