3-(1H-imidazol-2-yl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole;hydrochloride

C11H16ClN5O — CID 137076823

IUPAC3-(1H-imidazol-2-yl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole;hydrochloride
SMILESCl.c1c[nH]c(-c2noc(CCC3CCNC3)n2)n1
InChIInChI=1S/C11H15N5O.ClH/c1(8-3-4-12-7-8)2-9-15-11(16-17-9)10-13-5-6-14-10;/h5-6,8,12H,1-4,7H2,(H,13,14);1H
InChIKeyXGECAKBKRZPZDL-UHFFFAOYSA-N
MW269.74 g/mol
LogP1.42
Rot. Bonds4

About 3-(1H-imidazol-2-yl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole;hydrochloride

3-(1H-imidazol-2-yl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 137076823) has the molecular formula C11H16ClN5O and a molecular weight of 269.74 g/mol. Its IUPAC name is 3-(1H-imidazol-2-yl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-(1H-imidazol-2-yl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole;hydrochloride
PubChem CID137076823
Molecular FormulaC11H16ClN5O
Molecular Weight269.74 g/mol
Exact Mass269.10
IUPAC Name3-(1H-imidazol-2-yl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole;hydrochloride
SMILESCl.c1c[nH]c(-c2noc(CCC3CCNC3)n2)n1
InChIInChI=1S/C11H15N5O.ClH/c1(8-3-4-12-7-8)2-9-15-11(16-17-9)10-13-5-6-14-10;/h5-6,8,12H,1-4,7H2,(H,13,14);1H
InChIKeyXGECAKBKRZPZDL-UHFFFAOYSA-N
XLogP1.42
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-ethyl-2-pyridinyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole
CID 82737296
3-[4-(phenoxymethyl)phenyl]-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole
CID 120839426
3-(3-bromo-4-methylphenyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole
CID 104880995
3-(4-methyl-3-pyridinyl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole
CID 114876890
3-(3,5-dichlorophenyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 104880665
3-(3-methylfuran-2-yl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole
CID 104797840
3-(5-fluoro-2-pyridinyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 79719984
5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazol-3-amine
CID 65419210
3-(4-ethylphenyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 62216212
3-[2-(1H-imidazol-2-yl)ethyl]piperidine
CID 84732247
5-(2-cyclopentylethyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,2,4-oxadiazole
CID 58086007
3-(1-methylpyrazol-3-yl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 65196262

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-yl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-(1H-imidazol-2-yl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole;hydrochloride (CID 137076823) is 3-(1H-imidazol-2-yl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-(1H-imidazol-2-yl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-(1H-imidazol-2-yl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole;hydrochloride is Cl.c1c[nH]c(-c2noc(CCC3CCNC3)n2)n1.
What is the InChIKey of 3-(1H-imidazol-2-yl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is XGECAKBKRZPZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O.ClH/c1(8-3-4-12-7-8)2-9-15-11(16-17-9)10-13-5-6-14-10;/h5-6,8,12H,1-4,7H2,(H,13,14);1H.
What are the key properties of 3-(1H-imidazol-2-yl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole;hydrochloride?
3-(1H-imidazol-2-yl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 269.74 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-yl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 137076823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).