[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(3-methylfuran-2-yl)methanone

C16H20N4O3 — CID 129484364

IUPAC[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)N1CCN(C)[C@H](c2nc(C3CC3)no2)C1
InChIInChI=1S/C16H20N4O3/c1-10-5-8-22-13(10)16(21)20-7-6-19(2)12(9-20)15-17-14(18-23-15)11-3-4-11/h5,8,11-12H,3-4,6-7,9H2,1-2H3/t12-/m0/s1
InChIKeyLQABVUPYFYOBAJ-LBPRGKRZSA-N
MW316.36 g/mol
LogP1.98
Rot. Bonds3

About [(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(3-methylfuran-2-yl)methanone

[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(3-methylfuran-2-yl)methanone (PubChem CID 129484364) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is [(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(3-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(3-methylfuran-2-yl)methanone
PubChem CID129484364
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)N1CCN(C)[C@H](c2nc(C3CC3)no2)C1
InChIInChI=1S/C16H20N4O3/c1-10-5-8-22-13(10)16(21)20-7-6-19(2)12(9-20)15-17-14(18-23-15)11-3-4-11/h5,8,11-12H,3-4,6-7,9H2,1-2H3/t12-/m0/s1
InChIKeyLQABVUPYFYOBAJ-LBPRGKRZSA-N
XLogP1.98
TPSA75.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methylfuran-2-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 129482631
(2-chlorofuran-3-yl)-[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]methanone
CID 129482975
[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 129483030
(5-cyclopropyl-1-methylpyrazol-4-yl)-[(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]methanone
CID 129483705
(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-4-methylpiperazine-1-carboxamide
CID 129344812
(2-chlorofuran-3-yl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 129482466
[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
CID 164638325
1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-3-(1-methylcyclopropyl)propan-1-one
CID 136565189
(3-chloropiperidin-1-yl)-(3-methylfuran-2-yl)methanone
CID 63393139
(4-fluoro-2-methylphenyl)-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 129491580
(3-chloro-2-fluorophenyl)-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 128981776
[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone
CID 129491549

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(3-methylfuran-2-yl)methanone?
The IUPAC name of [(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(3-methylfuran-2-yl)methanone (CID 129484364) is [(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(3-methylfuran-2-yl)methanone.
What is the SMILES notation for [(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(3-methylfuran-2-yl)methanone?
The canonical SMILES for [(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(3-methylfuran-2-yl)methanone is Cc1ccoc1C(=O)N1CCN(C)[C@H](c2nc(C3CC3)no2)C1.
What is the InChIKey of [(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(3-methylfuran-2-yl)methanone?
The InChIKey is LQABVUPYFYOBAJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-10-5-8-22-13(10)16(21)20-7-6-19(2)12(9-20)15-17-14(18-23-15)11-3-4-11/h5,8,11-12H,3-4,6-7,9H2,1-2H3/t12-/m0/s1.
What are the key properties of [(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(3-methylfuran-2-yl)methanone?
[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(3-methylfuran-2-yl)methanone has a molecular weight of 316.36 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-(3-methylfuran-2-yl)methanone is sourced from PubChem (CID 129484364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).