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

C18H23N3O3 — CID 71801287

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyridin-3-yloxypiperidin-1-yl)propan-1-one
SMILESCc1noc(C)c1CCC(=O)N1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C18H23N3O3/c1-13-17(14(2)24-20-13)5-6-18(22)21-10-7-15(8-11-21)23-16-4-3-9-19-12-16/h3-4,9,12,15H,5-8,10-11H2,1-2H3
InChIKeyVMYWQSKPPSLBMW-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.69
Rot. Bonds5

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

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyridin-3-yloxypiperidin-1-yl)propan-1-one (PubChem CID 71801287) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyridin-3-yloxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyridin-3-yloxypiperidin-1-yl)propan-1-one
PubChem CID71801287
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyridin-3-yloxypiperidin-1-yl)propan-1-one
SMILESCc1noc(C)c1CCC(=O)N1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C18H23N3O3/c1-13-17(14(2)24-20-13)5-6-18(22)21-10-7-15(8-11-21)23-16-4-3-9-19-12-16/h3-4,9,12,15H,5-8,10-11H2,1-2H3
InChIKeyVMYWQSKPPSLBMW-UHFFFAOYSA-N
XLogP2.69
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyridin-3-yloxypiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyridin-3-yloxypiperidin-1-yl)propan-1-one (CID 71801287) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyridin-3-yloxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyridin-3-yloxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyridin-3-yloxypiperidin-1-yl)propan-1-one is Cc1noc(C)c1CCC(=O)N1CCC(Oc2cccnc2)CC1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyridin-3-yloxypiperidin-1-yl)propan-1-one?
The InChIKey is VMYWQSKPPSLBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13-17(14(2)24-20-13)5-6-18(22)21-10-7-15(8-11-21)23-16-4-3-9-19-12-16/h3-4,9,12,15H,5-8,10-11H2,1-2H3.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyridin-3-yloxypiperidin-1-yl)propan-1-one?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyridin-3-yloxypiperidin-1-yl)propan-1-one has a molecular weight of 329.40 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyridin-3-yloxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 71801287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).