N-[[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methyl]ethanamine

C12H17N5O — CID 106718842

IUPACN-[[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2nc(C3CC3)no2)cn1
InChIInChI=1S/C12H17N5O/c1-2-13-5-10-6-17(8-14-10)7-11-15-12(16-18-11)9-3-4-9/h6,8-9,13H,2-5,7H2,1H3
InChIKeyPTWYMMLUQPVCDX-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.30
Rot. Bonds6

About N-[[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methyl]ethanamine

N-[[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methyl]ethanamine (PubChem CID 106718842) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methyl]ethanamine
PubChem CID106718842
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-[[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2nc(C3CC3)no2)cn1
InChIInChI=1S/C12H17N5O/c1-2-13-5-10-6-17(8-14-10)7-11-15-12(16-18-11)9-3-4-9/h6,8-9,13H,2-5,7H2,1H3
InChIKeyPTWYMMLUQPVCDX-UHFFFAOYSA-N
XLogP1.30
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719161
N-[[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 61495910
N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719205
N-[[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 65424237
N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine
CID 106718607
N-cyclopropyl-2-[4-(ethylaminomethyl)imidazol-1-yl]acetamide
CID 106718782
2-methoxy-N-[[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720422
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718718
N-[[1-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 114204155
3-cyclopropyl-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 47022082
[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methanamine
CID 106718043
1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine
CID 79108091

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methyl]ethanamine (CID 106718842) is N-[[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methyl]ethanamine is CCNCc1cn(Cc2nc(C3CC3)no2)cn1.
What is the InChIKey of N-[[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methyl]ethanamine?
The InChIKey is PTWYMMLUQPVCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-2-13-5-10-6-17(8-14-10)7-11-15-12(16-18-11)9-3-4-9/h6,8-9,13H,2-5,7H2,1H3.
What are the key properties of N-[[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methyl]ethanamine?
N-[[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methyl]ethanamine has a molecular weight of 247.30 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 106718842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).