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2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide

C17H25N5O2 — CID 71926982

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(C2CCCN(CC(=O)Nc3cc(C(C)C)no3)C2)n[nH]1
InChIInChI=1S/C17H25N5O2/c1-11(2)14-8-17(24-21-14)18-16(23)10-22-6-4-5-13(9-22)15-7-12(3)19-20-15/h7-8,11,13H,4-6,9-10H2,1-3H3,(H,18,23)(H,19,20)
InChIKeyKOQTYSKIHSJSCH-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.65
Rot. Bonds5

About 2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide

2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide (PubChem CID 71926982) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
PubChem CID71926982
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(C2CCCN(CC(=O)Nc3cc(C(C)C)no3)C2)n[nH]1
InChIInChI=1S/C17H25N5O2/c1-11(2)14-8-17(24-21-14)18-16(23)10-22-6-4-5-13(9-22)15-7-12(3)19-20-15/h7-8,11,13H,4-6,9-10H2,1-3H3,(H,18,23)(H,19,20)
InChIKeyKOQTYSKIHSJSCH-UHFFFAOYSA-N
XLogP2.65
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide (CID 71926982) is 2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide is Cc1cc(C2CCCN(CC(=O)Nc3cc(C(C)C)no3)C2)n[nH]1.
What is the InChIKey of 2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
The InChIKey is KOQTYSKIHSJSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-11(2)14-8-17(24-21-14)18-16(23)10-22-6-4-5-13(9-22)15-7-12(3)19-20-15/h7-8,11,13H,4-6,9-10H2,1-3H3,(H,18,23)(H,19,20).
What are the key properties of 2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide has a molecular weight of 331.42 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 71926982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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