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

C5H7ClN4O — CID 139220614

IUPAC3-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCl.c1nc(C2=NCCN2)no1
InChIInChI=1S/C5H6N4O.ClH/c1-2-7-4(6-1)5-8-3-10-9-5;/h3H,1-2H2,(H,6,7);1H
InChIKeyCWFWYNZKGIKQTQ-UHFFFAOYSA-N
MW174.59 g/mol
LogP-0.16
Rot. Bonds1

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

3-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 139220614) has the molecular formula C5H7ClN4O and a molecular weight of 174.59 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4-oxadiazole;hydrochloride
PubChem CID139220614
Molecular FormulaC5H7ClN4O
Molecular Weight174.59 g/mol
Exact Mass174.03
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCl.c1nc(C2=NCCN2)no1
InChIInChI=1S/C5H6N4O.ClH/c1-2-7-4(6-1)5-8-3-10-9-5;/h3H,1-2H2,(H,6,7);1H
InChIKeyCWFWYNZKGIKQTQ-UHFFFAOYSA-N
XLogP-0.16
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.59
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4-oxadiazole;hydrochloride (CID 139220614) is 3-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4-oxadiazole;hydrochloride is Cl.c1nc(C2=NCCN2)no1.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is CWFWYNZKGIKQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O.ClH/c1-2-7-4(6-1)5-8-3-10-9-5;/h3H,1-2H2,(H,6,7);1H.
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4-oxadiazole;hydrochloride?
3-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 174.59 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 139220614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).