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

C12H17N5O — CID 62222882

IUPACN-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]methyl]cyclopropanamine
SMILESCCc1noc(Cn2ccnc2CNC2CC2)n1
InChIInChI=1S/C12H17N5O/c1-2-10-15-12(18-16-10)8-17-6-5-13-11(17)7-14-9-3-4-9/h5-6,9,14H,2-4,7-8H2,1H3
InChIKeyGLODTHVDEDNTQB-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.13
Rot. Bonds6

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

N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]methyl]cyclopropanamine (PubChem CID 62222882) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]methyl]cyclopropanamine
PubChem CID62222882
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]methyl]cyclopropanamine
SMILESCCc1noc(Cn2ccnc2CNC2CC2)n1
InChIInChI=1S/C12H17N5O/c1-2-10-15-12(18-16-10)8-17-6-5-13-11(17)7-14-9-3-4-9/h5-6,9,14H,2-4,7-8H2,1H3
InChIKeyGLODTHVDEDNTQB-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]methyl]cyclopropanamine (CID 62222882) is N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]methyl]cyclopropanamine is CCc1noc(Cn2ccnc2CNC2CC2)n1.
What is the InChIKey of N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]methyl]cyclopropanamine?
The InChIKey is GLODTHVDEDNTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-2-10-15-12(18-16-10)8-17-6-5-13-11(17)7-14-9-3-4-9/h5-6,9,14H,2-4,7-8H2,1H3.
What are the key properties of N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]methyl]cyclopropanamine?
N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]methyl]cyclopropanamine has a molecular weight of 247.30 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62222882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).