5,5-dimethyl-3-[2-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidine-2,4-dione

C14H18N4O5 — CID 72848064

IUPAC5,5-dimethyl-3-[2-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidine-2,4-dione
SMILESCC1(C)OC(=O)N(CC(=O)N2CCC(c3ncon3)CC2)C1=O
InChIInChI=1S/C14H18N4O5/c1-14(2)12(20)18(13(21)23-14)7-10(19)17-5-3-9(4-6-17)11-15-8-22-16-11/h8-9H,3-7H2,1-2H3
InChIKeyXSOYTQUDAFWUBW-UHFFFAOYSA-N
MW322.32 g/mol
LogP0.53
Rot. Bonds3

About 5,5-dimethyl-3-[2-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidine-2,4-dione

5,5-dimethyl-3-[2-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidine-2,4-dione (PubChem CID 72848064) has the molecular formula C14H18N4O5 and a molecular weight of 322.32 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[2-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidine-2,4-dione
PubChem CID72848064
Molecular FormulaC14H18N4O5
Molecular Weight322.32 g/mol
Exact Mass322.13
IUPAC Name5,5-dimethyl-3-[2-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidine-2,4-dione
SMILESCC1(C)OC(=O)N(CC(=O)N2CCC(c3ncon3)CC2)C1=O
InChIInChI=1S/C14H18N4O5/c1-14(2)12(20)18(13(21)23-14)7-10(19)17-5-3-9(4-6-17)11-15-8-22-16-11/h8-9H,3-7H2,1-2H3
InChIKeyXSOYTQUDAFWUBW-UHFFFAOYSA-N
XLogP0.53
TPSA105.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[2-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[2-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidine-2,4-dione (CID 72848064) is 5,5-dimethyl-3-[2-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[2-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[2-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidine-2,4-dione is CC1(C)OC(=O)N(CC(=O)N2CCC(c3ncon3)CC2)C1=O.
What is the InChIKey of 5,5-dimethyl-3-[2-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is XSOYTQUDAFWUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O5/c1-14(2)12(20)18(13(21)23-14)7-10(19)17-5-3-9(4-6-17)11-15-8-22-16-11/h8-9H,3-7H2,1-2H3.
What are the key properties of 5,5-dimethyl-3-[2-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidine-2,4-dione?
5,5-dimethyl-3-[2-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 322.32 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[2-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 72848064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).