5-(furan-2-yl)-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-pyrazole-3-carboxamide

C22H21N5O5 — CID 167936040

IUPAC5-(furan-2-yl)-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccc2oc(=O)n(CC(=O)N3CCCCC3)c2c1)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C22H21N5O5/c28-20(26-8-2-1-3-9-26)13-27-17-11-14(6-7-19(17)32-22(27)30)23-21(29)16-12-15(24-25-16)18-5-4-10-31-18/h4-7,10-12H,1-3,8-9,13H2,(H,23,29)(H,24,25)
InChIKeyREVZJRQGXHIEPI-UHFFFAOYSA-N
MW435.44 g/mol
LogP2.84
Rot. Bonds5

About 5-(furan-2-yl)-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-pyrazole-3-carboxamide

5-(furan-2-yl)-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-pyrazole-3-carboxamide (PubChem CID 167936040) has the molecular formula C22H21N5O5 and a molecular weight of 435.44 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-pyrazole-3-carboxamide
PubChem CID167936040
Molecular FormulaC22H21N5O5
Molecular Weight435.44 g/mol
Exact Mass435.15
IUPAC Name5-(furan-2-yl)-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccc2oc(=O)n(CC(=O)N3CCCCC3)c2c1)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C22H21N5O5/c28-20(26-8-2-1-3-9-26)13-27-17-11-14(6-7-19(17)32-22(27)30)23-21(29)16-12-15(24-25-16)18-5-4-10-31-18/h4-7,10-12H,1-3,8-9,13H2,(H,23,29)(H,24,25)
InChIKeyREVZJRQGXHIEPI-UHFFFAOYSA-N
XLogP2.84
TPSA126.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.44
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(furan-2-yl)-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-pyrazole-3-carboxamide (CID 167936040) is 5-(furan-2-yl)-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-pyrazole-3-carboxamide is O=C(Nc1ccc2oc(=O)n(CC(=O)N3CCCCC3)c2c1)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of 5-(furan-2-yl)-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is REVZJRQGXHIEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O5/c28-20(26-8-2-1-3-9-26)13-27-17-11-14(6-7-19(17)32-22(27)30)23-21(29)16-12-15(24-25-16)18-5-4-10-31-18/h4-7,10-12H,1-3,8-9,13H2,(H,23,29)(H,24,25).
What are the key properties of 5-(furan-2-yl)-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 435.44 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 167936040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).