2-[4-[2-[5-methyl-2-(4-morpholin-4-ylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-[2-(propan-2-yloxycarbonylamino)ethyl]phenoxy]acetic acid

C30H37N3O8 — CID 59759478

About 2-[4-[2-[5-methyl-2-(4-morpholin-4-ylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-[2-(propan-2-yloxycarbonylamino)ethyl]phenoxy]acetic acid

2-[4-[2-[5-methyl-2-(4-morpholin-4-ylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-[2-(propan-2-yloxycarbonylamino)ethyl]phenoxy]acetic acid (PubChem CID 59759478) has the molecular formula C30H37N3O8 and a molecular weight of 567.64 g/mol. Its IUPAC name is 2-[4-[2-[5-methyl-2-(4-morpholin-4-ylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-[2-(propan-2-yloxycarbonylamino)ethyl]phenoxy]acetic acid.

Molecular Properties

• Compound Name: 2-[4-[2-[5-methyl-2-(4-morpholin-4-ylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-[2-(propan-2-yloxycarbonylamino)ethyl]phenoxy]acetic acid
• PubChem CID: 59759478
• Molecular Formula: C30H37N3O8
• Molecular Weight: 567.64 g/mol
• Exact Mass: 567.26
• IUPAC Name: 2-[4-[2-[5-methyl-2-(4-morpholin-4-ylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-[2-(propan-2-yloxycarbonylamino)ethyl]phenoxy]acetic acid
• SMILES: Cc1oc(-c2ccc(N3CCOCC3)cc2)nc1CCOc1ccc(OCC(=O)O)c(CCNC(=O)OC(C)C)c1
• InChI: InChI=1S/C30H37N3O8/c1-20(2)40-30(36)31-12-10-23-18-25(8-9-27(23)39-19-28(34)35)38-15-11-26-21(3)41-29(32-26)22-4-6-24(7-5-22)33-13-16-37-17-14-33/h4-9,18,20H,10-17,19H2,1-3H3,(H,31,36)(H,34,35)
• InChIKey: YIUUXAOSQIZEDX-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 132.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.64
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[5-methyl-2-(4-morpholin-4-ylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-[2-(propan-2-yloxycarbonylamino)ethyl]phenoxy]acetic acid?

The IUPAC name of 2-[4-[2-[5-methyl-2-(4-morpholin-4-ylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-[2-(propan-2-yloxycarbonylamino)ethyl]phenoxy]acetic acid (CID 59759478) is 2-[4-[2-[5-methyl-2-(4-morpholin-4-ylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-[2-(propan-2-yloxycarbonylamino)ethyl]phenoxy]acetic acid.

What is the SMILES notation for 2-[4-[2-[5-methyl-2-(4-morpholin-4-ylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-[2-(propan-2-yloxycarbonylamino)ethyl]phenoxy]acetic acid?

The canonical SMILES for 2-[4-[2-[5-methyl-2-(4-morpholin-4-ylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-[2-(propan-2-yloxycarbonylamino)ethyl]phenoxy]acetic acid is Cc1oc(-c2ccc(N3CCOCC3)cc2)nc1CCOc1ccc(OCC(=O)O)c(CCNC(=O)OC(C)C)c1.

What is the InChIKey of 2-[4-[2-[5-methyl-2-(4-morpholin-4-ylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-[2-(propan-2-yloxycarbonylamino)ethyl]phenoxy]acetic acid?

The InChIKey is YIUUXAOSQIZEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O8/c1-20(2)40-30(36)31-12-10-23-18-25(8-9-27(23)39-19-28(34)35)38-15-11-26-21(3)41-29(32-26)22-4-6-24(7-5-22)33-13-16-37-17-14-33/h4-9,18,20H,10-17,19H2,1-3H3,(H,31,36)(H,34,35).

What are the key properties of 2-[4-[2-[5-methyl-2-(4-morpholin-4-ylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-[2-(propan-2-yloxycarbonylamino)ethyl]phenoxy]acetic acid?

2-[4-[2-[5-methyl-2-(4-morpholin-4-ylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-[2-(propan-2-yloxycarbonylamino)ethyl]phenoxy]acetic acid has a molecular weight of 567.64 g/mol, XLogP of 4.25, 13 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[5-methyl-2-(4-morpholin-4-ylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-[2-(propan-2-yloxycarbonylamino)ethyl]phenoxy]acetic acid is sourced from PubChem (CID 59759478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).