2-[5-methoxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzoyl]phenoxy]-3-methylbutanoic acid

C30H29NO7 — CID 68914877

About 2-[5-methoxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzoyl]phenoxy]-3-methylbutanoic acid

2-[5-methoxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzoyl]phenoxy]-3-methylbutanoic acid (PubChem CID 68914877) has the molecular formula C30H29NO7 and a molecular weight of 515.56 g/mol. Its IUPAC name is 2-[5-methoxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzoyl]phenoxy]-3-methylbutanoic acid.

Molecular Properties

• Compound Name: 2-[5-methoxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzoyl]phenoxy]-3-methylbutanoic acid
• PubChem CID: 68914877
• Molecular Formula: C30H29NO7
• Molecular Weight: 515.56 g/mol
• Exact Mass: 515.19
• IUPAC Name: 2-[5-methoxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzoyl]phenoxy]-3-methylbutanoic acid
• SMILES: COc1ccc(C(=O)c2ccc(OCc3nc(-c4ccccc4)oc3C)cc2)c(OC(C(=O)O)C(C)C)c1
• InChI: InChI=1S/C30H29NO7/c1-18(2)28(30(33)34)38-26-16-23(35-4)14-15-24(26)27(32)20-10-12-22(13-11-20)36-17-25-19(3)37-29(31-25)21-8-6-5-7-9-21/h5-16,18,28H,17H2,1-4H3,(H,33,34)
• InChIKey: AAAJJZXHYYMRSG-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 108.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.56
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzoyl]phenoxy]-3-methylbutanoic acid?

The IUPAC name of 2-[5-methoxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzoyl]phenoxy]-3-methylbutanoic acid (CID 68914877) is 2-[5-methoxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzoyl]phenoxy]-3-methylbutanoic acid.

What is the SMILES notation for 2-[5-methoxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzoyl]phenoxy]-3-methylbutanoic acid?

The canonical SMILES for 2-[5-methoxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzoyl]phenoxy]-3-methylbutanoic acid is COc1ccc(C(=O)c2ccc(OCc3nc(-c4ccccc4)oc3C)cc2)c(OC(C(=O)O)C(C)C)c1.

What is the InChIKey of 2-[5-methoxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzoyl]phenoxy]-3-methylbutanoic acid?

The InChIKey is AAAJJZXHYYMRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO7/c1-18(2)28(30(33)34)38-26-16-23(35-4)14-15-24(26)27(32)20-10-12-22(13-11-20)36-17-25-19(3)37-29(31-25)21-8-6-5-7-9-21/h5-16,18,28H,17H2,1-4H3,(H,33,34).

What are the key properties of 2-[5-methoxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzoyl]phenoxy]-3-methylbutanoic acid?

2-[5-methoxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzoyl]phenoxy]-3-methylbutanoic acid has a molecular weight of 515.56 g/mol, XLogP of 5.96, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-methoxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzoyl]phenoxy]-3-methylbutanoic acid is sourced from PubChem (CID 68914877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).