1-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one

C24H31N5O3 — CID 71845968

About 1-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one

1-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one (PubChem CID 71845968) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is 1-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one.

Molecular Properties

• Compound Name: 1-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
• PubChem CID: 71845968
• Molecular Formula: C24H31N5O3
• Molecular Weight: 437.54 g/mol
• Exact Mass: 437.24
• IUPAC Name: 1-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
• SMILES: CC(C)c1ccc(-c2noc(CCC(=O)N3CCCC(C(O)c4nccn4C)C3)n2)cc1
• InChI: InChI=1S/C24H31N5O3/c1-16(2)17-6-8-18(9-7-17)23-26-20(32-27-23)10-11-21(30)29-13-4-5-19(15-29)22(31)24-25-12-14-28(24)3/h6-9,12,14,16,19,22,31H,4-5,10-11,13,15H2,1-3H3
• InChIKey: XQZMSEAATFIRIA-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 97.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.54
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one?

The IUPAC name of 1-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one (CID 71845968) is 1-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one.

What is the SMILES notation for 1-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one?

The canonical SMILES for 1-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one is CC(C)c1ccc(-c2noc(CCC(=O)N3CCCC(C(O)c4nccn4C)C3)n2)cc1.

What is the InChIKey of 1-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one?

The InChIKey is XQZMSEAATFIRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-16(2)17-6-8-18(9-7-17)23-26-20(32-27-23)10-11-21(30)29-13-4-5-19(15-29)22(31)24-25-12-14-28(24)3/h6-9,12,14,16,19,22,31H,4-5,10-11,13,15H2,1-3H3.

What are the key properties of 1-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one?

1-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one has a molecular weight of 437.54 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one is sourced from PubChem (CID 71845968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).