5-[1-(3-propan-2-ylfuran-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxylic acid

C17H20N2O5 — CID 138009560

IUPAC5-[1-(3-propan-2-ylfuran-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxylic acid
SMILESCC(C)c1ccoc1C(=O)N1CCC(c2ocnc2C(=O)O)CC1
InChIInChI=1S/C17H20N2O5/c1-10(2)12-5-8-23-15(12)16(20)19-6-3-11(4-7-19)14-13(17(21)22)18-9-24-14/h5,8-11H,3-4,6-7H2,1-2H3,(H,21,22)
InChIKeyUSFWBBUPXBVPBV-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.11
Rot. Bonds4

About 5-[1-(3-propan-2-ylfuran-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxylic acid

5-[1-(3-propan-2-ylfuran-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxylic acid (PubChem CID 138009560) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is 5-[1-(3-propan-2-ylfuran-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[1-(3-propan-2-ylfuran-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxylic acid
PubChem CID138009560
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name5-[1-(3-propan-2-ylfuran-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxylic acid
SMILESCC(C)c1ccoc1C(=O)N1CCC(c2ocnc2C(=O)O)CC1
InChIInChI=1S/C17H20N2O5/c1-10(2)12-5-8-23-15(12)16(20)19-6-3-11(4-7-19)14-13(17(21)22)18-9-24-14/h5,8-11H,3-4,6-7H2,1-2H3,(H,21,22)
InChIKeyUSFWBBUPXBVPBV-UHFFFAOYSA-N
XLogP3.11
TPSA96.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-propan-2-ylfuran-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-[1-(3-propan-2-ylfuran-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxylic acid (CID 138009560) is 5-[1-(3-propan-2-ylfuran-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[1-(3-propan-2-ylfuran-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[1-(3-propan-2-ylfuran-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxylic acid is CC(C)c1ccoc1C(=O)N1CCC(c2ocnc2C(=O)O)CC1.
What is the InChIKey of 5-[1-(3-propan-2-ylfuran-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is USFWBBUPXBVPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-10(2)12-5-8-23-15(12)16(20)19-6-3-11(4-7-19)14-13(17(21)22)18-9-24-14/h5,8-11H,3-4,6-7H2,1-2H3,(H,21,22).
What are the key properties of 5-[1-(3-propan-2-ylfuran-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxylic acid?
5-[1-(3-propan-2-ylfuran-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 332.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-propan-2-ylfuran-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 138009560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).