2-[5-[(3R)-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid

C17H22N4O4 — CID 126432962

About 2-[5-[(3R)-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid

2-[5-[(3R)-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid (PubChem CID 126432962) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[5-[(3R)-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[5-[(3R)-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
• PubChem CID: 126432962
• Molecular Formula: C17H22N4O4
• Molecular Weight: 346.39 g/mol
• Exact Mass: 346.16
• IUPAC Name: 2-[5-[(3R)-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
• SMILES: CC(C)c1cc(C(=O)N2CCC[C@@H](c3ccnn3CC(=O)O)C2)no1
• InChI: InChI=1S/C17H22N4O4/c1-11(2)15-8-13(19-25-15)17(24)20-7-3-4-12(9-20)14-5-6-18-21(14)10-16(22)23/h5-6,8,11-12H,3-4,7,9-10H2,1-2H3,(H,22,23)/t12-/m1/s1
• InChIKey: NDRCQGYFNWIVKZ-GFCCVEGCSA-N
• XLogP: 2.10
• TPSA: 101.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.39
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3R)-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid?

The IUPAC name of 2-[5-[(3R)-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid (CID 126432962) is 2-[5-[(3R)-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid.

What is the SMILES notation for 2-[5-[(3R)-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid?

The canonical SMILES for 2-[5-[(3R)-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid is CC(C)c1cc(C(=O)N2CCC[C@@H](c3ccnn3CC(=O)O)C2)no1.

What is the InChIKey of 2-[5-[(3R)-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid?

The InChIKey is NDRCQGYFNWIVKZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-11(2)15-8-13(19-25-15)17(24)20-7-3-4-12(9-20)14-5-6-18-21(14)10-16(22)23/h5-6,8,11-12H,3-4,7,9-10H2,1-2H3,(H,22,23)/t12-/m1/s1.

What are the key properties of 2-[5-[(3R)-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid?

2-[5-[(3R)-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid has a molecular weight of 346.39 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[(3R)-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 126432962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).