[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone

C15H19N5O3 — CID 100657586

IUPAC[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESCN(C)c1nccnc1O[C@H]1CCCN(C(=O)c2ccno2)C1
InChIInChI=1S/C15H19N5O3/c1-19(2)13-14(17-8-7-16-13)22-11-4-3-9-20(10-11)15(21)12-5-6-18-23-12/h5-8,11H,3-4,9-10H2,1-2H3/t11-/m0/s1
InChIKeyKYTVBWBQBLIPIQ-NSHDSACASA-N
MW317.35 g/mol
LogP1.21
Rot. Bonds4

About [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone

[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone (PubChem CID 100657586) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone
PubChem CID100657586
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESCN(C)c1nccnc1O[C@H]1CCCN(C(=O)c2ccno2)C1
InChIInChI=1S/C15H19N5O3/c1-19(2)13-14(17-8-7-16-13)22-11-4-3-9-20(10-11)15(21)12-5-6-18-23-12/h5-8,11H,3-4,9-10H2,1-2H3/t11-/m0/s1
InChIKeyKYTVBWBQBLIPIQ-NSHDSACASA-N
XLogP1.21
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(1,2-oxazol-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

[3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 91628111
[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-phenylmethanone
CID 91628252
[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-thiophen-2-ylmethanone
CID 100658231
[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-pyridin-2-ylmethanone
CID 91628265
[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 100756385
[(3R)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 100658983
[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 100657758
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 122160225
3-[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carbonyl]-1-methylpyridin-2-one
CID 91628240
[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-[(3S)-1-methylpiperidin-3-yl]methanone
CID 100658000
[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 91627736
N-(2-chloroethyl)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carboxamide
CID 117054833

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The IUPAC name of [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone (CID 100657586) is [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The canonical SMILES for [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone is CN(C)c1nccnc1O[C@H]1CCCN(C(=O)c2ccno2)C1.
What is the InChIKey of [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The InChIKey is KYTVBWBQBLIPIQ-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N5O3/c1-19(2)13-14(17-8-7-16-13)22-11-4-3-9-20(10-11)15(21)12-5-6-18-23-12/h5-8,11H,3-4,9-10H2,1-2H3/t11-/m0/s1.
What are the key properties of [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone?
[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone has a molecular weight of 317.35 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 100657586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).