4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxylic acid

C18H20N4O4 — CID 56895857

IUPAC4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxylic acid
SMILESCc1nc(CN2CCC(C(=O)O)(n3ccc(-c4ccco4)n3)CC2)co1
InChIInChI=1S/C18H20N4O4/c1-13-19-14(12-26-13)11-21-8-5-18(6-9-21,17(23)24)22-7-4-15(20-22)16-3-2-10-25-16/h2-4,7,10,12H,5-6,8-9,11H2,1H3,(H,23,24)
InChIKeyYAXCHERFHIPJFL-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.52
Rot. Bonds5

About 4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxylic acid

4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxylic acid (PubChem CID 56895857) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxylic acid
PubChem CID56895857
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxylic acid
SMILESCc1nc(CN2CCC(C(=O)O)(n3ccc(-c4ccco4)n3)CC2)co1
InChIInChI=1S/C18H20N4O4/c1-13-19-14(12-26-13)11-21-8-5-18(6-9-21,17(23)24)22-7-4-15(20-22)16-3-2-10-25-16/h2-4,7,10,12H,5-6,8-9,11H2,1H3,(H,23,24)
InChIKeyYAXCHERFHIPJFL-UHFFFAOYSA-N
XLogP2.52
TPSA97.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxylic acid (CID 56895857) is 4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxylic acid is Cc1nc(CN2CCC(C(=O)O)(n3ccc(-c4ccco4)n3)CC2)co1.
What is the InChIKey of 4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxylic acid?
The InChIKey is YAXCHERFHIPJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-13-19-14(12-26-13)11-21-8-5-18(6-9-21,17(23)24)22-7-4-15(20-22)16-3-2-10-25-16/h2-4,7,10,12H,5-6,8-9,11H2,1H3,(H,23,24).
What are the key properties of 4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxylic acid?
4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxylic acid has a molecular weight of 356.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 56895857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).