3-[[6-[4-[[(1R)-1-cyclopentylethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid

C25H33N3O6 — CID 175789672

About 3-[[6-[4-[[(1R)-1-cyclopentylethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid

3-[[6-[4-[[(1R)-1-cyclopentylethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid (PubChem CID 175789672) has the molecular formula C25H33N3O6 and a molecular weight of 471.55 g/mol. Its IUPAC name is 3-[[6-[4-[[(1R)-1-cyclopentylethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid.

Molecular Properties

• Compound Name: 3-[[6-[4-[[(1R)-1-cyclopentylethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
• PubChem CID: 175789672
• Molecular Formula: C25H33N3O6
• Molecular Weight: 471.55 g/mol
• Exact Mass: 471.24
• IUPAC Name: 3-[[6-[4-[[(1R)-1-cyclopentylethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
• SMILES: Cc1nc(-c2onc(C)c2NC(=O)O[C@H](C)C2CCCC2)ccc1OC1CCCC(C(=O)O)C1
• InChI: InChI=1S/C25H33N3O6/c1-14-21(33-19-10-6-9-18(13-19)24(29)30)12-11-20(26-14)23-22(15(2)28-34-23)27-25(31)32-16(3)17-7-4-5-8-17/h11-12,16-19H,4-10,13H2,1-3H3,(H,27,31)(H,29,30)/t16-,18?,19?/m1/s1
• InChIKey: NFKJVOJNCRNLPM-IPJUCJBFSA-N
• XLogP: 5.50
• TPSA: 123.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.55
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[4-[[(1R)-1-cyclopentylethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid?

The IUPAC name of 3-[[6-[4-[[(1R)-1-cyclopentylethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid (CID 175789672) is 3-[[6-[4-[[(1R)-1-cyclopentylethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid.

What is the SMILES notation for 3-[[6-[4-[[(1R)-1-cyclopentylethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid?

The canonical SMILES for 3-[[6-[4-[[(1R)-1-cyclopentylethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid is Cc1nc(-c2onc(C)c2NC(=O)O[C@H](C)C2CCCC2)ccc1OC1CCCC(C(=O)O)C1.

What is the InChIKey of 3-[[6-[4-[[(1R)-1-cyclopentylethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid?

The InChIKey is NFKJVOJNCRNLPM-IPJUCJBFSA-N. The full InChI is InChI=1S/C25H33N3O6/c1-14-21(33-19-10-6-9-18(13-19)24(29)30)12-11-20(26-14)23-22(15(2)28-34-23)27-25(31)32-16(3)17-7-4-5-8-17/h11-12,16-19H,4-10,13H2,1-3H3,(H,27,31)(H,29,30)/t16-,18?,19?/m1/s1.

What are the key properties of 3-[[6-[4-[[(1R)-1-cyclopentylethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid?

3-[[6-[4-[[(1R)-1-cyclopentylethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid has a molecular weight of 471.55 g/mol, XLogP of 5.50, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[6-[4-[[(1R)-1-cyclopentylethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 175789672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).