[(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

C20H24N6O3 — CID 164638325

IUPAC[(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
SMILESCC(C)c1noc2ncc(C(=O)N3CCN(C)[C@H](c4nc(C5CC5)no4)C3)cc12
InChIInChI=1S/C20H24N6O3/c1-11(2)16-14-8-13(9-21-18(14)28-23-16)20(27)26-7-6-25(3)15(10-26)19-22-17(24-29-19)12-4-5-12/h8-9,11-12,15H,4-7,10H2,1-3H3/t15-/m0/s1
InChIKeyAZEDFZVPUPWWOB-HNNXBMFYSA-N
MW396.45 g/mol
LogP2.74
Rot. Bonds4

About [(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

[(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 (PubChem CID 164638325) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID164638325
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC Name[(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
SMILESCC(C)c1noc2ncc(C(=O)N3CCN(C)[C@H](c4nc(C5CC5)no4)C3)cc12
InChIInChI=1S/C20H24N6O3/c1-11(2)16-14-8-13(9-21-18(14)28-23-16)20(27)26-7-6-25(3)15(10-26)19-22-17(24-29-19)12-4-5-12/h8-9,11-12,15H,4-7,10H2,1-3H3/t15-/m0/s1
InChIKeyAZEDFZVPUPWWOB-HNNXBMFYSA-N
XLogP2.74
TPSA101.39 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [(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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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)-4-methylpiperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 129483030
(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]-(3-methylfuran-2-yl)methanone
CID 129484364
[4-[(R)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
CID 99805993
1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]-3-(1-methylcyclopropyl)propan-1-one
CID 136565189
N-(1-ethylpyrazol-4-yl)-1-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperidine-4-carboxamide
CID 86882226
[(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
(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-ethyl-4-phenylpiperazin-1-yl)-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
CID 126778375
(3,4-dimethoxyphenyl)-[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 129346897
(3S)-3-methyl-4-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)-1,4-diazepan-2-one
CID 136588009

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is CC(C)c1noc2ncc(C(=O)N3CCN(C)[C@H](c4nc(C5CC5)no4)C3)cc12.
What is the InChIKey of [(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?
The InChIKey is AZEDFZVPUPWWOB-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-11(2)16-14-8-13(9-21-18(14)28-23-16)20(27)26-7-6-25(3)15(10-26)19-22-17(24-29-19)12-4-5-12/h8-9,11-12,15H,4-7,10H2,1-3H3/t15-/m0/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 396.45 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 8 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-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone is sourced from PubChem (CID 164638325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).