N-[2-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide

C20H21N5O4 — CID 25292419

About N-[2-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide

N-[2-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 25292419) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is N-[2-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
• PubChem CID: 25292419
• Molecular Formula: C20H21N5O4
• Molecular Weight: 395.42 g/mol
• Exact Mass: 395.16
• IUPAC Name: N-[2-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
• SMILES: O=C(Nc1ccnn1C1CCN(Cc2ccon2)CC1)c1ccc2c(c1)OCO2
• InChI: InChI=1S/C20H21N5O4/c26-20(14-1-2-17-18(11-14)28-13-27-17)22-19-3-7-21-25(19)16-4-8-24(9-5-16)12-15-6-10-29-23-15/h1-3,6-7,10-11,16H,4-5,8-9,12-13H2,(H,22,26)
• InChIKey: BTAPCVGYPYCBPI-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 94.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.42
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?

The IUPAC name of N-[2-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide (CID 25292419) is N-[2-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide.

What is the SMILES notation for N-[2-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?

The canonical SMILES for N-[2-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide is O=C(Nc1ccnn1C1CCN(Cc2ccon2)CC1)c1ccc2c(c1)OCO2.

What is the InChIKey of N-[2-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?

The InChIKey is BTAPCVGYPYCBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4/c26-20(14-1-2-17-18(11-14)28-13-27-17)22-19-3-7-21-25(19)16-4-8-24(9-5-16)12-15-6-10-29-23-15/h1-3,6-7,10-11,16H,4-5,8-9,12-13H2,(H,22,26).

What are the key properties of N-[2-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?

N-[2-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 25292419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).