3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]propan-1-one

C18H32N4O2 — CID 136566459

IUPAC3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]propan-1-one
SMILESCC(C)CC1CN(C)CCN1C(=O)CCc1nc(C(C)(C)C)no1
InChIInChI=1S/C18H32N4O2/c1-13(2)11-14-12-21(6)9-10-22(14)16(23)8-7-15-19-17(20-24-15)18(3,4)5/h13-14H,7-12H2,1-6H3
InChIKeyWWUFTSXLHLOTCF-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.49
Rot. Bonds5

About 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]propan-1-one

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]propan-1-one (PubChem CID 136566459) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]propan-1-one
PubChem CID136566459
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]propan-1-one
SMILESCC(C)CC1CN(C)CCN1C(=O)CCc1nc(C(C)(C)C)no1
InChIInChI=1S/C18H32N4O2/c1-13(2)11-14-12-21(6)9-10-22(14)16(23)8-7-15-19-17(20-24-15)18(3,4)5/h13-14H,7-12H2,1-6H3
InChIKeyWWUFTSXLHLOTCF-UHFFFAOYSA-N
XLogP2.49
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(4-methyl-2-phenylpiperazin-1-yl)butan-1-one
CID 55668750
1-[2-(aminomethyl)pyrrolidin-1-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butan-1-one;hydrochloride
CID 119634070
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]propan-1-one
CID 38483127
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]propan-1-one
CID 94616712
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]butan-1-one
CID 146125776
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one
CID 120735949
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]butan-1-one
CID 56779253
4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]morpholine-3-carboxylic acid
CID 119216378
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 38417228
2-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]thiomorpholin-3-yl]acetic acid
CID 119210763
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-2-morpholin-4-ylpropyl]propanamide
CID 38585265
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-hydroxy-2,3-dimethylbutyl)butanamide
CID 111484432

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]propan-1-one (CID 136566459) is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]propan-1-one is CC(C)CC1CN(C)CCN1C(=O)CCc1nc(C(C)(C)C)no1.
What is the InChIKey of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]propan-1-one?
The InChIKey is WWUFTSXLHLOTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-13(2)11-14-12-21(6)9-10-22(14)16(23)8-7-15-19-17(20-24-15)18(3,4)5/h13-14H,7-12H2,1-6H3.
What are the key properties of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]propan-1-one?
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]propan-1-one has a molecular weight of 336.48 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[4-methyl-2-(2-methylpropyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 136566459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).