5-(1-chloroethyl)-N-(3-imidazol-1-ylpropyl)-1,3,4-oxadiazol-2-amine

C10H14ClN5O — CID 106959120

IUPAC5-(1-chloroethyl)-N-(3-imidazol-1-ylpropyl)-1,3,4-oxadiazol-2-amine
SMILESCC(Cl)c1nnc(NCCCn2ccnc2)o1
InChIInChI=1S/C10H14ClN5O/c1-8(11)9-14-15-10(17-9)13-3-2-5-16-6-4-12-7-16/h4,6-8H,2-3,5H2,1H3,(H,13,15)
InChIKeyOOMNUQMVZIVJLG-UHFFFAOYSA-N
MW255.71 g/mol
LogP2.07
Rot. Bonds6

About 5-(1-chloroethyl)-N-(3-imidazol-1-ylpropyl)-1,3,4-oxadiazol-2-amine

5-(1-chloroethyl)-N-(3-imidazol-1-ylpropyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106959120) has the molecular formula C10H14ClN5O and a molecular weight of 255.71 g/mol. Its IUPAC name is 5-(1-chloroethyl)-N-(3-imidazol-1-ylpropyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-chloroethyl)-N-(3-imidazol-1-ylpropyl)-1,3,4-oxadiazol-2-amine
PubChem CID106959120
Molecular FormulaC10H14ClN5O
Molecular Weight255.71 g/mol
Exact Mass255.09
IUPAC Name5-(1-chloroethyl)-N-(3-imidazol-1-ylpropyl)-1,3,4-oxadiazol-2-amine
SMILESCC(Cl)c1nnc(NCCCn2ccnc2)o1
InChIInChI=1S/C10H14ClN5O/c1-8(11)9-14-15-10(17-9)13-3-2-5-16-6-4-12-7-16/h4,6-8H,2-3,5H2,1H3,(H,13,15)
InChIKeyOOMNUQMVZIVJLG-UHFFFAOYSA-N
XLogP2.07
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(1-chloroethyl)-N-pentyl-1,3,4-oxadiazol-2-amine
CID 106958884
5-(1-chloroethyl)-N-decyl-1,3,4-oxadiazol-2-amine
CID 106958258
5-(1-chloroethyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106956807
N-(3-imidazol-1-ylpropyl)-1-methylimidazol-2-amine
CID 62132911
N-(3-imidazol-1-ylpropyl)-5-methylpyridazin-3-amine
CID 106549494
N-(2-imidazol-1-ylethyl)-1-methyltetrazol-5-amine
CID 63150127
N-(3-imidazol-1-ylpropyl)-1-methylpyrazol-3-amine
CID 79778766
4-N,6-N-bis(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19154189
N-(3-imidazol-1-ylpropyl)-6-methylpyridazin-3-amine
CID 61313104
N-(3-imidazol-1-ylpropyl)pyrimidin-5-amine
CID 82539235
2,3,4,5,6-pentafluoro-N-(3-imidazol-1-ylpropyl)aniline
CID 28826187
4,6-dichloro-N-(4-imidazol-1-ylbutyl)-1,3,5-triazin-2-amine
CID 55124703

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloroethyl)-N-(3-imidazol-1-ylpropyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-chloroethyl)-N-(3-imidazol-1-ylpropyl)-1,3,4-oxadiazol-2-amine (CID 106959120) is 5-(1-chloroethyl)-N-(3-imidazol-1-ylpropyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-chloroethyl)-N-(3-imidazol-1-ylpropyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-chloroethyl)-N-(3-imidazol-1-ylpropyl)-1,3,4-oxadiazol-2-amine is CC(Cl)c1nnc(NCCCn2ccnc2)o1.
What is the InChIKey of 5-(1-chloroethyl)-N-(3-imidazol-1-ylpropyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is OOMNUQMVZIVJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5O/c1-8(11)9-14-15-10(17-9)13-3-2-5-16-6-4-12-7-16/h4,6-8H,2-3,5H2,1H3,(H,13,15).
What are the key properties of 5-(1-chloroethyl)-N-(3-imidazol-1-ylpropyl)-1,3,4-oxadiazol-2-amine?
5-(1-chloroethyl)-N-(3-imidazol-1-ylpropyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 255.71 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloroethyl)-N-(3-imidazol-1-ylpropyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106959120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).