1-[(3S)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-(oxan-4-yl)ethanone

C22H29N3O3 — CID 124964238

IUPAC1-[(3S)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-(oxan-4-yl)ethanone
SMILESCc1noc(C)c1-c1ccc([C@H]2CCCN(C(=O)CC3CCOCC3)C2)nc1
InChIInChI=1S/C22H29N3O3/c1-15-22(16(2)28-24-15)18-5-6-20(23-13-18)19-4-3-9-25(14-19)21(26)12-17-7-10-27-11-8-17/h5-6,13,17,19H,3-4,7-12,14H2,1-2H3/t19-/m0/s1
InChIKeyHWGAKCFIASZCBM-IBGZPJMESA-N
MW383.49 g/mol
LogP3.88
Rot. Bonds4

About 1-[(3S)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-(oxan-4-yl)ethanone

1-[(3S)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-(oxan-4-yl)ethanone (PubChem CID 124964238) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 1-[(3S)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name1-[(3S)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-(oxan-4-yl)ethanone
PubChem CID124964238
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name1-[(3S)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-(oxan-4-yl)ethanone
SMILESCc1noc(C)c1-c1ccc([C@H]2CCCN(C(=O)CC3CCOCC3)C2)nc1
InChIInChI=1S/C22H29N3O3/c1-15-22(16(2)28-24-15)18-5-6-20(23-13-18)19-4-3-9-25(14-19)21(26)12-17-7-10-27-11-8-17/h5-6,13,17,19H,3-4,7-12,14H2,1-2H3/t19-/m0/s1
InChIKeyHWGAKCFIASZCBM-IBGZPJMESA-N
XLogP3.88
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(3S)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-(oxan-4-yl)ethanone 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

[(3R)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-pyrimidin-5-ylmethanone
CID 125020232
[3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 110159035
[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 110135423
1-[(3S)-3-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 92615995
1-[(3R)-3-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 92615994
3,5-dimethyl-4-[6-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]-3-pyridinyl]-1,2-oxazole
CID 125020312
3,5-dimethyl-4-[6-[(3S)-1-(pyrazin-2-ylmethyl)piperidin-3-yl]-3-pyridinyl]-1,2-oxazole
CID 124960755
[(2S)-2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1,4-dimethylpiperidin-4-yl)methanone
CID 124986505
4-[6-[(3S)-1-(1H-indol-3-ylmethyl)piperidin-3-yl]-3-pyridinyl]-3,5-dimethyl-1,2-oxazole
CID 125024963
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-pyrimidin-4-ylpiperidin-1-yl)ethanone
CID 110096420
[(2S)-2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124998744
[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 110129252

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-(oxan-4-yl)ethanone?
The IUPAC name of 1-[(3S)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-(oxan-4-yl)ethanone (CID 124964238) is 1-[(3S)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 1-[(3S)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-(oxan-4-yl)ethanone?
The canonical SMILES for 1-[(3S)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-(oxan-4-yl)ethanone is Cc1noc(C)c1-c1ccc([C@H]2CCCN(C(=O)CC3CCOCC3)C2)nc1.
What is the InChIKey of 1-[(3S)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-(oxan-4-yl)ethanone?
The InChIKey is HWGAKCFIASZCBM-IBGZPJMESA-N. The full InChI is InChI=1S/C22H29N3O3/c1-15-22(16(2)28-24-15)18-5-6-20(23-13-18)19-4-3-9-25(14-19)21(26)12-17-7-10-27-11-8-17/h5-6,13,17,19H,3-4,7-12,14H2,1-2H3/t19-/m0/s1.
What are the key properties of 1-[(3S)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-(oxan-4-yl)ethanone?
1-[(3S)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-(oxan-4-yl)ethanone has a molecular weight of 383.49 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]piperidin-1-yl]-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 124964238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).