3-cyclopropyl-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole

C12H20N4O — CID 47022082

IUPAC3-cyclopropyl-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCCN1CCN(Cc2nc(C3CC3)no2)CC1
InChIInChI=1S/C12H20N4O/c1-2-15-5-7-16(8-6-15)9-11-13-12(14-17-11)10-3-4-10/h10H,2-9H2,1H3
InChIKeyWZCCMWMYUWWWMO-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.08
Rot. Bonds4

About 3-cyclopropyl-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole

3-cyclopropyl-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 47022082) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-cyclopropyl-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID47022082
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-cyclopropyl-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCCN1CCN(Cc2nc(C3CC3)no2)CC1
InChIInChI=1S/C12H20N4O/c1-2-15-5-7-16(8-6-15)9-11-13-12(14-17-11)10-3-4-10/h10H,2-9H2,1H3
InChIKeyWZCCMWMYUWWWMO-UHFFFAOYSA-N
XLogP1.08
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]ethanamine
CID 55216293
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 43556639
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923772
3-cyclopropyl-5-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 60500807
3-cyclopropyl-5-[[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 86773607
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-4-amine;hydrochloride
CID 119925264
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-3-ol
CID 115873831
[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120772875
N-tert-butyl-2-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-1-yl]acetamide
CID 36617338
(1R)-2-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 95309336
3-cyclopropyl-5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 131943740
3-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]propanoic acid
CID 62217364

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (CID 47022082) is 3-cyclopropyl-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is CCN1CCN(Cc2nc(C3CC3)no2)CC1.
What is the InChIKey of 3-cyclopropyl-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is WZCCMWMYUWWWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-15-5-7-16(8-6-15)9-11-13-12(14-17-11)10-3-4-10/h10H,2-9H2,1H3.
What are the key properties of 3-cyclopropyl-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 236.32 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 47022082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).