1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one

C16H24N6O2 — CID 71991000

IUPAC1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESCC(C)c1noc(CCC(=O)N2CCN(c3nccn3C)CC2)n1
InChIInChI=1S/C16H24N6O2/c1-12(2)15-18-13(24-19-15)4-5-14(23)21-8-10-22(11-9-21)16-17-6-7-20(16)3/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyNCWDJTUVNQIBEG-UHFFFAOYSA-N
MW332.41 g/mol
LogP1.21
Rot. Bonds5

About 1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one

1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one (PubChem CID 71991000) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
PubChem CID71991000
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESCC(C)c1noc(CCC(=O)N2CCN(c3nccn3C)CC2)n1
InChIInChI=1S/C16H24N6O2/c1-12(2)15-18-13(24-19-15)4-5-14(23)21-8-10-22(11-9-21)16-17-6-7-20(16)3/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyNCWDJTUVNQIBEG-UHFFFAOYSA-N
XLogP1.21
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]pentan-1-one;hydrochloride
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1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-4-phenylbutan-1-one;hydrochloride
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1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 51079863
1-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 86903538
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride
CID 119623261
1-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 110115055
3-(1-methylimidazol-2-yl)-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-1-carboxamide
CID 138994102
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 38497213
1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 125000164
1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 31669631
3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 78837529
1-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 124981522

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The IUPAC name of 1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one (CID 71991000) is 1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one.
What is the SMILES notation for 1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The canonical SMILES for 1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one is CC(C)c1noc(CCC(=O)N2CCN(c3nccn3C)CC2)n1.
What is the InChIKey of 1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The InChIKey is NCWDJTUVNQIBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-12(2)15-18-13(24-19-15)4-5-14(23)21-8-10-22(11-9-21)16-17-6-7-20(16)3/h6-7,12H,4-5,8-11H2,1-3H3.
What are the key properties of 1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one has a molecular weight of 332.41 g/mol, XLogP of 1.21, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one is sourced from PubChem (CID 71991000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).