1-(4-methylpiperazin-1-yl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone

C12H20N4O2 — CID 99968341

IUPAC1-(4-methylpiperazin-1-yl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone
SMILESCC(C)c1nc(CC(=O)N2CCN(C)CC2)no1
InChIInChI=1S/C12H20N4O2/c1-9(2)12-13-10(14-18-12)8-11(17)16-6-4-15(3)5-7-16/h9H,4-8H2,1-3H3
InChIKeyFBMVPPDYFINBGL-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.51
Rot. Bonds3

About 1-(4-methylpiperazin-1-yl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone

1-(4-methylpiperazin-1-yl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone (PubChem CID 99968341) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone
PubChem CID99968341
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name1-(4-methylpiperazin-1-yl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone
SMILESCC(C)c1nc(CC(=O)N2CCN(C)CC2)no1
InChIInChI=1S/C12H20N4O2/c1-9(2)12-13-10(14-18-12)8-11(17)16-6-4-15(3)5-7-16/h9H,4-8H2,1-3H3
InChIKeyFBMVPPDYFINBGL-UHFFFAOYSA-N
XLogP0.51
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-piperazin-1-yl-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone
CID 82511042
10,10-difluoro-2-(2-methoxyethyl)-8-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 133140729
1-[(8S)-2-(dimethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone
CID 124819429
3-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methylamino]butanoic acid
CID 54959196
1-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 94815780
2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydroisoquinolin-1-one
CID 115773462
2-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]acetic acid
CID 79605835
(4R)-4-(dimethylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]azepane-1-carboxamide
CID 126443974
3-[(4aR,7aS)-6,6-dioxo-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-1-yl]propanoic acid
CID 72935914
1-[4-[(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-methoxyethanone
CID 94028365
2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methylamino]acetic acid
CID 61497413
cis-(1R,2S)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 133264927

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone (CID 99968341) is 1-(4-methylpiperazin-1-yl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone is CC(C)c1nc(CC(=O)N2CCN(C)CC2)no1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone?
The InChIKey is FBMVPPDYFINBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9(2)12-13-10(14-18-12)8-11(17)16-6-4-15(3)5-7-16/h9H,4-8H2,1-3H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone?
1-(4-methylpiperazin-1-yl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone has a molecular weight of 252.32 g/mol, XLogP of 0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethanone is sourced from PubChem (CID 99968341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).