2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyridin-3-yloxypiperidin-1-yl)ethanone

C17H21N3O3 — CID 90566099

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyridin-3-yloxypiperidin-1-yl)ethanone
SMILESCc1noc(C)c1CC(=O)N1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C17H21N3O3/c1-12-16(13(2)23-19-12)10-17(21)20-8-5-14(6-9-20)22-15-4-3-7-18-11-15/h3-4,7,11,14H,5-6,8-10H2,1-2H3
InChIKeyTWXXQYSRVYINSK-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.30
Rot. Bonds4

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyridin-3-yloxypiperidin-1-yl)ethanone

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyridin-3-yloxypiperidin-1-yl)ethanone (PubChem CID 90566099) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyridin-3-yloxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyridin-3-yloxypiperidin-1-yl)ethanone
PubChem CID90566099
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyridin-3-yloxypiperidin-1-yl)ethanone
SMILESCc1noc(C)c1CC(=O)N1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C17H21N3O3/c1-12-16(13(2)23-19-12)10-17(21)20-8-5-14(6-9-20)22-15-4-3-7-18-11-15/h3-4,7,11,14H,5-6,8-10H2,1-2H3
InChIKeyTWXXQYSRVYINSK-UHFFFAOYSA-N
XLogP2.30
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyridin-3-yloxypiperidin-1-yl)ethanone with MolForge

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-pyridin-3-yloxypyrrolidin-1-yl]ethanone
CID 129382162
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 46968195
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4S,5S)-4-hydroxy-5-pyridin-3-yloxyazepan-1-yl]propan-1-one
CID 110128584
4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121156321
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone
CID 90560033
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
CID 90559656
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2,5-dimethylphenoxy)piperidin-1-yl]ethanone
CID 56819074
1-(4-benzoylpiperidin-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 18133741
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 129356021
2-(4-propan-2-ylsulfonylphenyl)-1-(4-pyridin-3-yloxypiperidin-1-yl)ethanone
CID 90566081
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 47022417
2-(4-nitrophenyl)-1-(4-pyridin-3-yloxypiperidin-1-yl)ethanone
CID 90566015

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyridin-3-yloxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyridin-3-yloxypiperidin-1-yl)ethanone (CID 90566099) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyridin-3-yloxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyridin-3-yloxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyridin-3-yloxypiperidin-1-yl)ethanone is Cc1noc(C)c1CC(=O)N1CCC(Oc2cccnc2)CC1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyridin-3-yloxypiperidin-1-yl)ethanone?
The InChIKey is TWXXQYSRVYINSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12-16(13(2)23-19-12)10-17(21)20-8-5-14(6-9-20)22-15-4-3-7-18-11-15/h3-4,7,11,14H,5-6,8-10H2,1-2H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyridin-3-yloxypiperidin-1-yl)ethanone?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyridin-3-yloxypiperidin-1-yl)ethanone has a molecular weight of 315.37 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyridin-3-yloxypiperidin-1-yl)ethanone is sourced from PubChem (CID 90566099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).