(4S)-5-[4-[5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2,4-dihydroxy-N-methylpentanamide

C28H36N4O6 — CID 140634640

About (4S)-5-[4-[5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2,4-dihydroxy-N-methylpentanamide

(4S)-5-[4-[5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2,4-dihydroxy-N-methylpentanamide (PubChem CID 140634640) has the molecular formula C28H36N4O6 and a molecular weight of 524.62 g/mol. Its IUPAC name is (4S)-5-[4-[5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2,4-dihydroxy-N-methylpentanamide.

Molecular Properties

• Compound Name: (4S)-5-[4-[5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2,4-dihydroxy-N-methylpentanamide
• PubChem CID: 140634640
• Molecular Formula: C28H36N4O6
• Molecular Weight: 524.62 g/mol
• Exact Mass: 524.26
• IUPAC Name: (4S)-5-[4-[5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2,4-dihydroxy-N-methylpentanamide
• SMILES: CCc1cc(-c2noc(-c3cc(OC)nc(C4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CC(O)C(=O)NC
• InChI: InChI=1S/C28H36N4O6/c1-5-17-11-19(10-16(2)25(17)37-15-21(33)14-23(34)27(35)29-3)26-31-28(38-32-26)20-12-22(18-8-6-7-9-18)30-24(13-20)36-4/h10-13,18,21,23,33-34H,5-9,14-15H2,1-4H3,(H,29,35)/t21-,23?/m0/s1
• InChIKey: ZFEUIIKMFUCRQN-BBQAJUCSSA-N
• XLogP: 3.57
• TPSA: 139.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.62
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (4S)-5-[4-[5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2,4-dihydroxy-N-methylpentanamide?

The IUPAC name of (4S)-5-[4-[5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2,4-dihydroxy-N-methylpentanamide (CID 140634640) is (4S)-5-[4-[5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2,4-dihydroxy-N-methylpentanamide.

What is the SMILES notation for (4S)-5-[4-[5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2,4-dihydroxy-N-methylpentanamide?

The canonical SMILES for (4S)-5-[4-[5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2,4-dihydroxy-N-methylpentanamide is CCc1cc(-c2noc(-c3cc(OC)nc(C4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CC(O)C(=O)NC.

What is the InChIKey of (4S)-5-[4-[5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2,4-dihydroxy-N-methylpentanamide?

The InChIKey is ZFEUIIKMFUCRQN-BBQAJUCSSA-N. The full InChI is InChI=1S/C28H36N4O6/c1-5-17-11-19(10-16(2)25(17)37-15-21(33)14-23(34)27(35)29-3)26-31-28(38-32-26)20-12-22(18-8-6-7-9-18)30-24(13-20)36-4/h10-13,18,21,23,33-34H,5-9,14-15H2,1-4H3,(H,29,35)/t21-,23?/m0/s1.

What are the key properties of (4S)-5-[4-[5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2,4-dihydroxy-N-methylpentanamide?

(4S)-5-[4-[5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2,4-dihydroxy-N-methylpentanamide has a molecular weight of 524.62 g/mol, XLogP of 3.57, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-5-[4-[5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2,4-dihydroxy-N-methylpentanamide is sourced from PubChem (CID 140634640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).