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

C18H26N2O4 — CID 4982859

IUPAC3-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCc1cc(C(=O)N2CCC(N3C(=O)OCC3C(C)C)CC2)c(C)o1
InChIInChI=1S/C18H26N2O4/c1-11(2)16-10-23-18(22)20(16)14-5-7-19(8-6-14)17(21)15-9-12(3)24-13(15)4/h9,11,14,16H,5-8,10H2,1-4H3
InChIKeyIOGMJJXUZPCDHB-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.98
Rot. Bonds3

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

3-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 4982859) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID4982859
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name3-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCc1cc(C(=O)N2CCC(N3C(=O)OCC3C(C)C)CC2)c(C)o1
InChIInChI=1S/C18H26N2O4/c1-11(2)16-10-23-18(22)20(16)14-5-7-19(8-6-14)17(21)15-9-12(3)24-13(15)4/h9,11,14,16H,5-8,10H2,1-4H3
InChIKeyIOGMJJXUZPCDHB-UHFFFAOYSA-N
XLogP2.98
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 4982859) is 3-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is Cc1cc(C(=O)N2CCC(N3C(=O)OCC3C(C)C)CC2)c(C)o1.
What is the InChIKey of 3-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is IOGMJJXUZPCDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-11(2)16-10-23-18(22)20(16)14-5-7-19(8-6-14)17(21)15-9-12(3)24-13(15)4/h9,11,14,16H,5-8,10H2,1-4H3.
What are the key properties of 3-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
3-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 334.42 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 4982859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).