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

C19H26N4O4 — CID 91908018

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
SMILESCc1noc(C)c1CC(=O)N1CCC(c2nc(C3CCOCC3)no2)CC1
InChIInChI=1S/C19H26N4O4/c1-12-16(13(2)26-21-12)11-17(24)23-7-3-15(4-8-23)19-20-18(22-27-19)14-5-9-25-10-6-14/h14-15H,3-11H2,1-2H3
InChIKeyKUNGJNGRVXSJLO-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.52
Rot. Bonds4

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

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone (PubChem CID 91908018) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
PubChem CID91908018
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
SMILESCc1noc(C)c1CC(=O)N1CCC(c2nc(C3CCOCC3)no2)CC1
InChIInChI=1S/C19H26N4O4/c1-12-16(13(2)26-21-12)11-17(24)23-7-3-15(4-8-23)19-20-18(22-27-19)14-5-9-25-10-6-14/h14-15H,3-11H2,1-2H3
InChIKeyKUNGJNGRVXSJLO-UHFFFAOYSA-N
XLogP2.52
TPSA94.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone (CID 91908018) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone is Cc1noc(C)c1CC(=O)N1CCC(c2nc(C3CCOCC3)no2)CC1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
The InChIKey is KUNGJNGRVXSJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-12-16(13(2)26-21-12)11-17(24)23-7-3-15(4-8-23)19-20-18(22-27-19)14-5-9-25-10-6-14/h14-15H,3-11H2,1-2H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone has a molecular weight of 374.44 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 91908018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).