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

C9H13N5O — CID 106395888

IUPACN-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
SMILESCc1[nH]cnc1CNCCc1ncon1
InChIInChI=1S/C9H13N5O/c1-7-8(12-5-11-7)4-10-3-2-9-13-6-15-14-9/h5-6,10H,2-4H2,1H3,(H,11,12)
InChIKeyRPRYHMHRWDAWCP-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.43
Rot. Bonds5

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

N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine (PubChem CID 106395888) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
PubChem CID106395888
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC NameN-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
SMILESCc1[nH]cnc1CNCCc1ncon1
InChIInChI=1S/C9H13N5O/c1-7-8(12-5-11-7)4-10-3-2-9-13-6-15-14-9/h5-6,10H,2-4H2,1H3,(H,11,12)
InChIKeyRPRYHMHRWDAWCP-UHFFFAOYSA-N
XLogP0.43
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106395688
N-[(3,5-dibromo-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 114183499
N-[(5-methyl-1H-imidazol-4-yl)methyl]-N',N'-bis[2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]ethane-1,2-diamine
CID 102599835
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106395589
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396072
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106400820
N-[(2,5-dimethylphenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 114183364
N-benzyl-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396500
N-[(5-fluoro-2-methylphenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 114183458
N-[(6-methyl-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106400795
2-(2-fluorophenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine
CID 62748309
2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106395964

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The IUPAC name of N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine (CID 106395888) is N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine.
What is the SMILES notation for N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The canonical SMILES for N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine is Cc1[nH]cnc1CNCCc1ncon1.
What is the InChIKey of N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The InChIKey is RPRYHMHRWDAWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-7-8(12-5-11-7)4-10-3-2-9-13-6-15-14-9/h5-6,10H,2-4H2,1H3,(H,11,12).
What are the key properties of N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine?
N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine has a molecular weight of 207.24 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine is sourced from PubChem (CID 106395888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).