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

C13H19N5O — CID 55048663

IUPACN-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nccn1Cc1noc(C2CC2)n1
InChIInChI=1S/C13H19N5O/c1-2-5-14-8-12-15-6-7-18(12)9-11-16-13(19-17-11)10-3-4-10/h6-7,10,14H,2-5,8-9H2,1H3
InChIKeyQXBGBGFUSFFBKI-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.69
Rot. Bonds7

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

N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]propan-1-amine (PubChem CID 55048663) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]propan-1-amine
PubChem CID55048663
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nccn1Cc1noc(C2CC2)n1
InChIInChI=1S/C13H19N5O/c1-2-5-14-8-12-15-6-7-18(12)9-11-16-13(19-17-11)10-3-4-10/h6-7,10,14H,2-5,8-9H2,1H3
InChIKeyQXBGBGFUSFFBKI-UHFFFAOYSA-N
XLogP1.69
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]propan-1-amine (CID 55048663) is N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]propan-1-amine is CCCNCc1nccn1Cc1noc(C2CC2)n1.
What is the InChIKey of N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]propan-1-amine?
The InChIKey is QXBGBGFUSFFBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-2-5-14-8-12-15-6-7-18(12)9-11-16-13(19-17-11)10-3-4-10/h6-7,10,14H,2-5,8-9H2,1H3.
What are the key properties of N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]propan-1-amine?
N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]propan-1-amine has a molecular weight of 261.33 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 55048663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).