N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C20H23N5O2S — CID 91818068

About N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 91818068) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
• PubChem CID: 91818068
• Molecular Formula: C20H23N5O2S
• Molecular Weight: 397.50 g/mol
• Exact Mass: 397.16
• IUPAC Name: N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
• SMILES: O=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1)c1noc2c1CCCC2
• InChI: InChI=1S/C20H23N5O2S/c26-20(19-14-4-1-2-5-16(14)27-24-19)21-13-7-9-25(10-8-13)18-12-15(22-23-18)17-6-3-11-28-17/h3,6,11-13H,1-2,4-5,7-10H2,(H,21,26)(H,22,23)
• InChIKey: LMFKHFVYWDOIPS-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 87.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.50
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?

The IUPAC name of N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 91818068) is N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

What is the SMILES notation for N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?

The canonical SMILES for N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is O=C(NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1)c1noc2c1CCCC2.

What is the InChIKey of N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?

The InChIKey is LMFKHFVYWDOIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c26-20(19-14-4-1-2-5-16(14)27-24-19)21-13-7-9-25(10-8-13)18-12-15(22-23-18)17-6-3-11-28-17/h3,6,11-13H,1-2,4-5,7-10H2,(H,21,26)(H,22,23).

What are the key properties of N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?

N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 91818068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).