ethane;2-ethyl-3-[2-methyl-4-[2-(2-phenyl-1,3-oxazol-5-yl)ethoxy]phenyl]pentanoic acid

C27H35NO4 — CID 142210022

About ethane;2-ethyl-3-[2-methyl-4-[2-(2-phenyl-1,3-oxazol-5-yl)ethoxy]phenyl]pentanoic acid

ethane;2-ethyl-3-[2-methyl-4-[2-(2-phenyl-1,3-oxazol-5-yl)ethoxy]phenyl]pentanoic acid (PubChem CID 142210022) has the molecular formula C27H35NO4 and a molecular weight of 437.58 g/mol. Its IUPAC name is ethane;2-ethyl-3-[2-methyl-4-[2-(2-phenyl-1,3-oxazol-5-yl)ethoxy]phenyl]pentanoic acid.

Molecular Properties

• Compound Name: ethane;2-ethyl-3-[2-methyl-4-[2-(2-phenyl-1,3-oxazol-5-yl)ethoxy]phenyl]pentanoic acid
• PubChem CID: 142210022
• Molecular Formula: C27H35NO4
• Molecular Weight: 437.58 g/mol
• Exact Mass: 437.26
• IUPAC Name: ethane;2-ethyl-3-[2-methyl-4-[2-(2-phenyl-1,3-oxazol-5-yl)ethoxy]phenyl]pentanoic acid
• SMILES: CC.CCC(C(=O)O)C(CC)c1ccc(OCCc2cnc(-c3ccccc3)o2)cc1C
• InChI: InChI=1S/C25H29NO4.C2H6/c1-4-21(22(5-2)25(27)28)23-12-11-19(15-17(23)3)29-14-13-20-16-26-24(30-20)18-9-7-6-8-10-18;1-2/h6-12,15-16,21-22H,4-5,13-14H2,1-3H3,(H,27,28);1-2H3
• InChIKey: ALHWCMPBMVOOQP-UHFFFAOYSA-N
• XLogP: 6.90
• TPSA: 72.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.58
LogP ≤ 5	6.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-3-[2-methyl-4-[2-(2-phenyl-1,3-oxazol-5-yl)ethoxy]phenyl]pentanoic acid?

The IUPAC name of ethane;2-ethyl-3-[2-methyl-4-[2-(2-phenyl-1,3-oxazol-5-yl)ethoxy]phenyl]pentanoic acid (CID 142210022) is ethane;2-ethyl-3-[2-methyl-4-[2-(2-phenyl-1,3-oxazol-5-yl)ethoxy]phenyl]pentanoic acid.

What is the SMILES notation for ethane;2-ethyl-3-[2-methyl-4-[2-(2-phenyl-1,3-oxazol-5-yl)ethoxy]phenyl]pentanoic acid?

The canonical SMILES for ethane;2-ethyl-3-[2-methyl-4-[2-(2-phenyl-1,3-oxazol-5-yl)ethoxy]phenyl]pentanoic acid is CC.CCC(C(=O)O)C(CC)c1ccc(OCCc2cnc(-c3ccccc3)o2)cc1C.

What is the InChIKey of ethane;2-ethyl-3-[2-methyl-4-[2-(2-phenyl-1,3-oxazol-5-yl)ethoxy]phenyl]pentanoic acid?

The InChIKey is ALHWCMPBMVOOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO4.C2H6/c1-4-21(22(5-2)25(27)28)23-12-11-19(15-17(23)3)29-14-13-20-16-26-24(30-20)18-9-7-6-8-10-18;1-2/h6-12,15-16,21-22H,4-5,13-14H2,1-3H3,(H,27,28);1-2H3.

What are the key properties of ethane;2-ethyl-3-[2-methyl-4-[2-(2-phenyl-1,3-oxazol-5-yl)ethoxy]phenyl]pentanoic acid?

ethane;2-ethyl-3-[2-methyl-4-[2-(2-phenyl-1,3-oxazol-5-yl)ethoxy]phenyl]pentanoic acid has a molecular weight of 437.58 g/mol, XLogP of 6.90, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-ethyl-3-[2-methyl-4-[2-(2-phenyl-1,3-oxazol-5-yl)ethoxy]phenyl]pentanoic acid is sourced from PubChem (CID 142210022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).