4-butyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one

C16H23N3O4 — CID 23939940

IUPAC4-butyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCCCCC1COC(=O)N1C1CCN(C(=O)c2ccno2)CC1
InChIInChI=1S/C16H23N3O4/c1-2-3-4-13-11-22-16(21)19(13)12-6-9-18(10-7-12)15(20)14-5-8-17-23-14/h5,8,12-13H,2-4,6-7,9-11H2,1H3
InChIKeyIJTYVPJFDKOCTL-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.29
Rot. Bonds5

About 4-butyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one

4-butyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 23939940) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-butyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-butyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID23939940
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name4-butyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCCCCC1COC(=O)N1C1CCN(C(=O)c2ccno2)CC1
InChIInChI=1S/C16H23N3O4/c1-2-3-4-13-11-22-16(21)19(13)12-6-9-18(10-7-12)15(20)14-5-8-17-23-14/h5,8,12-13H,2-4,6-7,9-11H2,1H3
InChIKeyIJTYVPJFDKOCTL-UHFFFAOYSA-N
XLogP2.29
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-butyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one (CID 23939940) is 4-butyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-butyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-butyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one is CCCCC1COC(=O)N1C1CCN(C(=O)c2ccno2)CC1.
What is the InChIKey of 4-butyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is IJTYVPJFDKOCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-2-3-4-13-11-22-16(21)19(13)12-6-9-18(10-7-12)15(20)14-5-8-17-23-14/h5,8,12-13H,2-4,6-7,9-11H2,1H3.
What are the key properties of 4-butyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
4-butyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 321.38 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 23939940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).