3-[2-(3-cyclopropylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole

C12H20N4O — CID 106421539

IUPAC3-[2-(3-cyclopropylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(CCN2CCNC(C3CC3)C2)no1
InChIInChI=1S/C12H20N4O/c1-9-14-12(15-17-9)4-6-16-7-5-13-11(8-16)10-2-3-10/h10-11,13H,2-8H2,1H3
InChIKeyBIUGJFMZJTWEJG-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.60
Rot. Bonds4

About 3-[2-(3-cyclopropylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole

3-[2-(3-cyclopropylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 106421539) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-[2-(3-cyclopropylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(3-cyclopropylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole
PubChem CID106421539
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-[2-(3-cyclopropylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(CCN2CCNC(C3CC3)C2)no1
InChIInChI=1S/C12H20N4O/c1-9-14-12(15-17-9)4-6-16-7-5-13-11(8-16)10-2-3-10/h10-11,13H,2-8H2,1H3
InChIKeyBIUGJFMZJTWEJG-UHFFFAOYSA-N
XLogP0.60
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-isopropyl-2-(4-{[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl}piperazin-1-yl)acetamide
CID 16189997
3-[5-(Propan-2-yl)-1,2,4-oxadiazol-3-yl]piperidine hydrochloride
CID 50988079
N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-4-amine
CID 86775555
4-(5-Methyl-1,2,4-oxadiazol-3-yl)piperidine hydrochloride
CID 21098311
2-(5-Methyl-1,2,4-oxadiazol-3-yl)piperidine hydrochloride
CID 50988175
3-(5-Methyl-1,2,4-oxadiazol-3-yl)piperidine hydrochloride
CID 50988177
4-[(5-Methyl-1,2,4-oxadiazol-3-YL)methyl]piperidine hydrochloride
CID 53433778
N-(cyclopropylmethyl)-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide
CID 45826763
3-Cyclopropyl-5-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 47022087
N-[[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methyl]acetamide
CID 47219829
3-(5-Isopropyl-[1,2,4]oxadiazol-3-yl)-piperidine
CID 50988080
N-(cyclopropylmethyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 53575447

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-cyclopropylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(3-cyclopropylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole (CID 106421539) is 3-[2-(3-cyclopropylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(3-cyclopropylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(3-cyclopropylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole is Cc1nc(CCN2CCNC(C3CC3)C2)no1.
What is the InChIKey of 3-[2-(3-cyclopropylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is BIUGJFMZJTWEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-14-12(15-17-9)4-6-16-7-5-13-11(8-16)10-2-3-10/h10-11,13H,2-8H2,1H3.
What are the key properties of 3-[2-(3-cyclopropylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole?
3-[2-(3-cyclopropylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 236.32 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-cyclopropylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 106421539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).