[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone

C16H24N6O2 — CID 129491565

IUPAC[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
SMILESCc1noc([C@H]2CN(C(=O)c3cc(C(C)C)nn3C)CCN2C)n1
InChIInChI=1S/C16H24N6O2/c1-10(2)12-8-13(21(5)18-12)16(23)22-7-6-20(4)14(9-22)15-17-11(3)19-24-15/h8,10,14H,6-7,9H2,1-5H3/t14-/m1/s1
InChIKeyWCLDGDQSKZFNDY-CQSZACIVSA-N
MW332.41 g/mol
LogP1.36
Rot. Bonds3

About [(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone

[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone (PubChem CID 129491565) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is [(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
PubChem CID129491565
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
SMILESCc1noc([C@H]2CN(C(=O)c3cc(C(C)C)nn3C)CCN2C)n1
InChIInChI=1S/C16H24N6O2/c1-10(2)12-8-13(21(5)18-12)16(23)22-7-6-20(4)14(9-22)15-17-11(3)19-24-15/h8,10,14H,6-7,9H2,1-5H3/t14-/m1/s1
InChIKeyWCLDGDQSKZFNDY-CQSZACIVSA-N
XLogP1.36
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone
CID 129483592
(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 129483649
[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone
CID 129491549
(2-chlorofuran-3-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 129482466
(3-methylfuran-2-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 129482631
(4-chloro-2-fluorophenyl)-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 129484977
(4-fluoro-2-methylphenyl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 129491580
(3,4-dimethoxyphenyl)-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 129346897
(3,5-difluoro-2-pyridinyl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 129484206
5-methyl-4-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazine-1-carbonyl]furan-2-carbonitrile
CID 129484260
(5-ethyl-1H-pyrazol-3-yl)-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 128981546
[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone
CID 129346901

Frequently Asked Questions

What is the IUPAC name of [(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone?
The IUPAC name of [(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone (CID 129491565) is [(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone.
What is the SMILES notation for [(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone?
The canonical SMILES for [(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone is Cc1noc([C@H]2CN(C(=O)c3cc(C(C)C)nn3C)CCN2C)n1.
What is the InChIKey of [(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone?
The InChIKey is WCLDGDQSKZFNDY-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-10(2)12-8-13(21(5)18-12)16(23)22-7-6-20(4)14(9-22)15-17-11(3)19-24-15/h8,10,14H,6-7,9H2,1-5H3/t14-/m1/s1.
What are the key properties of [(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone?
[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone has a molecular weight of 332.41 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone is sourced from PubChem (CID 129491565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).